REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2c6n_1_B DATA FIRST_RESID 2 DATA SEQUENCE DPGLQPGNFS ADEAGAQLFA QSYNSSAEQV LFQSVAASWA HDTNITAENA DATA SEQUENCE RRQEEAALLS QEFAEAWGQK AKELYEPIWQ NFTDPQLRRI IGAVRTLGSA DATA SEQUENCE NLPLAKRQQY NALLSNMSRI YSTAKVcLPN KTATcWSLDP DLTNILASSR DATA SEQUENCE SYAMLLFAWE GWHNAAGIPL KPLYEDFTAL SNEAYKQDGF TDTGAYWRSW DATA SEQUENCE YNSPTFEDDL EHLYQQLEPL YLNLHAFVRR ALHRRYGDRY INLRGPIPAH DATA SEQUENCE LLGDMWAQSW ENIYDMVVPF PDKPXLDVTS TMLQQGWNAT HMFRVAEEFF DATA SEQUENCE TSLELSPMPP EFWEGSMLEK PADGREVVcH ASAWDFYNRK DFRIKQcTRV DATA SEQUENCE TMDQLSTVHH EMGHIQYYLQ YKDLPVSLRR GANPGFHEAI GDVLALSVST DATA SEQUENCE PEHLHKIGLL DRVTNDTESD INYLLKMALE KIAFLPFGYL VDQWRWGVFS DATA SEQUENCE GRTPPSRYNF DWWYLRTKYQ GICPPVTRNE THFDAGAKFH VPNVTPYIRY DATA SEQUENCE FVSFVLQFQF HEALcKEAGY EGPLHQcDIY RSTKAGAKLR KVLQAGSSRP DATA SEQUENCE WQEVLKDMVG LDALDAQPLL KYFQPVTQWL QEQNQQNGEV LGWPEYQWHP DATA SEQUENCE PLPDNYPEGI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.325 176.300 0.042 0.000 2.045 2 D CA 0.000 54.014 54.000 0.023 0.000 0.868 2 D CB 0.000 40.789 40.800 -0.018 0.000 0.688 3 P HA -0.024 nan 4.420 nan 0.000 0.259 3 P C 1.349 178.650 177.300 0.002 0.000 1.200 3 P CA 2.253 65.369 63.100 0.026 0.000 1.233 3 P CB -0.562 31.165 31.700 0.046 0.000 0.678 4 G N -1.972 106.841 108.800 0.020 0.000 3.159 4 G HA2 0.207 4.167 3.960 -0.001 0.000 0.232 4 G HA3 0.207 4.167 3.960 -0.001 0.000 0.232 4 G C 0.388 175.312 174.900 0.040 0.000 1.116 4 G CA -0.300 44.796 45.100 -0.007 0.000 0.767 4 G HN 0.309 nan 8.290 nan 0.000 0.547 5 L N 1.986 123.281 121.223 0.119 0.000 2.597 5 L HA 0.408 4.747 4.340 -0.001 0.000 0.261 5 L C 0.741 177.663 176.870 0.086 0.000 1.389 5 L CA -0.022 55.003 54.840 0.309 0.000 1.203 5 L CB -0.895 41.372 42.059 0.347 0.000 1.401 5 L HN 0.355 nan 8.230 nan 0.000 0.443 6 Q N 2.237 121.912 119.800 -0.209 0.000 2.426 6 Q HA 0.483 4.822 4.340 -0.001 0.000 0.278 6 Q C -2.710 172.697 176.000 -0.988 0.000 1.007 6 Q CA -1.246 54.182 55.803 -0.626 0.000 0.850 6 Q CB 1.229 29.751 28.738 -0.360 0.000 1.427 6 Q HN 0.095 nan 8.270 nan 0.000 0.391 7 P HA 0.312 nan 4.420 nan 0.000 0.218 7 P C 0.529 177.486 177.300 -0.571 0.000 1.826 7 P CA 0.239 62.737 63.100 -1.004 0.000 0.946 7 P CB 0.333 31.428 31.700 -1.008 0.000 1.728 8 G N 0.217 108.700 108.800 -0.529 0.000 2.287 8 G HA2 0.158 4.117 3.960 -0.001 0.000 0.235 8 G HA3 0.158 4.117 3.960 -0.001 0.000 0.235 8 G C 0.488 175.000 174.900 -0.646 0.000 1.258 8 G CA -0.124 44.700 45.100 -0.460 0.000 0.884 8 G HN 0.506 nan 8.290 nan 0.000 0.518 9 N N 0.538 118.941 118.700 -0.494 0.000 2.492 9 N HA 0.528 5.267 4.740 -0.001 0.000 0.262 9 N C -0.339 174.845 175.510 -0.544 0.000 1.202 9 N CA 0.050 52.836 53.050 -0.441 0.000 0.926 9 N CB 0.134 38.493 38.487 -0.215 0.000 1.078 9 N HN 0.471 nan 8.380 nan 0.000 0.454 10 F N -0.368 119.520 119.950 -0.103 0.000 2.522 10 F HA 0.753 5.279 4.527 -0.001 0.000 0.324 10 F C 1.265 177.089 175.800 0.041 0.000 1.077 10 F CA -1.758 56.243 58.000 0.002 0.000 0.944 10 F CB 0.587 39.629 39.000 0.070 0.000 1.175 10 F HN 0.722 nan 8.300 nan 0.000 0.468 11 S N 0.664 116.530 115.700 0.276 0.000 2.553 11 S HA 0.436 4.905 4.470 -0.001 0.000 0.271 11 S C 0.356 175.135 174.600 0.298 0.000 1.362 11 S CA -0.047 58.279 58.200 0.210 0.000 1.010 11 S CB -0.152 63.151 63.200 0.171 0.000 0.865 11 S HN 1.104 nan 8.310 nan 0.000 0.543 12 A N 1.211 124.176 122.820 0.242 0.000 2.415 12 A HA 0.633 4.953 4.320 -0.001 0.000 0.309 12 A C 0.443 178.191 177.584 0.275 0.000 1.356 12 A CA 0.699 52.944 52.037 0.347 0.000 0.998 12 A CB -1.093 18.037 19.000 0.218 0.000 1.145 12 A HN 1.417 nan 8.150 nan 0.000 0.545 13 D N 0.910 121.478 120.400 0.280 0.000 3.309 13 D HA 0.663 5.302 4.640 -0.001 0.000 0.335 13 D C 0.574 176.870 176.300 -0.006 0.000 1.393 13 D CA 0.563 54.634 54.000 0.118 0.000 0.963 13 D CB 0.015 40.884 40.800 0.114 0.000 1.431 13 D HN 0.649 nan 8.370 nan 0.000 0.583 14 E N -1.557 118.633 120.200 -0.017 0.000 2.110 14 E HA 0.533 4.883 4.350 -0.001 0.000 0.193 14 E C 2.013 178.575 176.600 -0.062 0.000 0.950 14 E CA 1.540 57.897 56.400 -0.071 0.000 0.840 14 E CB -0.439 29.240 29.700 -0.036 0.000 0.809 14 E HN 1.476 nan 8.360 nan 0.000 0.465 15 A N 0.644 123.463 122.820 -0.002 0.000 2.302 15 A HA 0.500 4.819 4.320 -0.001 0.000 0.219 15 A C 2.214 179.840 177.584 0.070 0.000 1.243 15 A CA 1.091 53.141 52.037 0.022 0.000 0.856 15 A CB -0.484 18.535 19.000 0.032 0.000 0.893 15 A HN 0.479 nan 8.150 nan 0.000 0.491 16 G N -0.696 108.166 108.800 0.104 0.000 2.459 16 G HA2 0.199 4.158 3.960 -0.001 0.000 0.213 16 G HA3 0.199 4.158 3.960 -0.001 0.000 0.213 16 G C 1.572 176.647 174.900 0.292 0.000 1.155 16 G CA 0.853 46.092 45.100 0.233 0.000 0.811 16 G HN 0.598 nan 8.290 nan 0.000 0.534 17 A N 0.113 122.989 122.820 0.093 0.000 1.969 17 A HA 0.164 4.483 4.320 -0.001 0.000 0.218 17 A C 2.564 180.143 177.584 -0.009 0.000 1.169 17 A CA 2.429 54.430 52.037 -0.059 0.000 0.635 17 A CB -0.758 17.826 19.000 -0.694 0.000 0.810 17 A HN 0.540 nan 8.150 nan 0.000 0.445 18 Q N -1.115 118.677 119.800 -0.015 0.000 2.020 18 Q HA 0.068 4.408 4.340 -0.001 0.000 0.202 18 Q C 2.579 178.591 176.000 0.020 0.000 0.982 18 Q CA 2.700 58.497 55.803 -0.009 0.000 0.838 18 Q CB -1.819 26.921 28.738 0.003 0.000 0.899 18 Q HN 1.381 nan 8.270 nan 0.000 0.423 19 L N -0.340 120.911 121.223 0.046 0.000 2.079 19 L HA 0.065 4.404 4.340 -0.001 0.000 0.210 19 L C 2.626 179.397 176.870 -0.164 0.000 1.081 19 L CA 2.439 57.300 54.840 0.034 0.000 0.752 19 L CB -1.677 40.465 42.059 0.139 0.000 0.896 19 L HN 0.735 nan 8.230 nan 0.000 0.433 20 F N 0.821 120.468 119.950 -0.505 0.000 2.010 20 F HA -0.176 4.351 4.527 -0.001 0.000 0.296 20 F C 2.726 178.293 175.800 -0.389 0.000 1.146 20 F CA 1.762 59.254 58.000 -0.847 0.000 1.181 20 F CB -0.355 38.473 39.000 -0.287 0.000 0.965 20 F HN 0.277 nan 8.300 nan 0.000 0.480 21 A N 0.303 123.249 122.820 0.210 0.000 2.032 21 A HA -0.300 4.019 4.320 -0.001 0.000 0.221 21 A C 2.152 179.768 177.584 0.054 0.000 1.165 21 A CA 2.498 54.550 52.037 0.026 0.000 0.645 21 A CB -1.726 17.194 19.000 -0.133 0.000 0.807 21 A HN 0.702 nan 8.150 nan 0.000 0.453 22 Q N -1.208 118.621 119.800 0.049 0.000 2.061 22 Q HA -0.118 4.221 4.340 -0.001 0.000 0.204 22 Q C 2.568 178.620 176.000 0.087 0.000 0.984 22 Q CA 3.048 58.884 55.803 0.054 0.000 0.846 22 Q CB -1.566 27.208 28.738 0.060 0.000 0.902 22 Q HN 1.036 nan 8.270 nan 0.000 0.421 23 S N -0.699 115.073 115.700 0.121 0.000 2.345 23 S HA 0.066 4.535 4.470 -0.001 0.000 0.219 23 S C 2.338 177.032 174.600 0.157 0.000 1.031 23 S CA 2.669 61.008 58.200 0.231 0.000 0.984 23 S CB -1.229 62.234 63.200 0.439 0.000 0.874 23 S HN 1.364 nan 8.310 nan 0.000 0.451 24 Y N 1.736 122.062 120.300 0.043 0.000 2.096 24 Y HA -0.358 4.192 4.550 -0.001 0.000 0.278 24 Y C 2.387 178.114 175.900 -0.289 0.000 1.192 24 Y CA 3.012 60.813 58.100 -0.498 0.000 1.143 24 Y CB -1.845 36.531 38.460 -0.139 0.000 0.963 24 Y HN 0.745 nan 8.280 nan 0.000 0.505 25 N N 0.427 119.077 118.700 -0.084 0.000 2.069 25 N HA -0.098 4.641 4.740 -0.001 0.000 0.191 25 N C 2.118 177.631 175.510 0.005 0.000 1.031 25 N CA 2.890 55.918 53.050 -0.036 0.000 0.852 25 N CB -0.620 37.864 38.487 -0.004 0.000 1.018 25 N HN 0.630 nan 8.380 nan 0.000 0.423 26 S N -0.460 115.270 115.700 0.049 0.000 2.383 26 S HA -0.110 4.360 4.470 -0.001 0.000 0.229 26 S C 2.104 176.768 174.600 0.105 0.000 1.030 26 S CA 1.756 60.004 58.200 0.080 0.000 1.002 26 S CB -0.756 62.512 63.200 0.114 0.000 0.829 26 S HN 0.435 nan 8.310 nan 0.000 0.467 27 S N 1.345 117.150 115.700 0.175 0.000 2.362 27 S HA 0.225 4.694 4.470 -0.001 0.000 0.221 27 S C 2.511 177.149 174.600 0.065 0.000 1.032 27 S CA 0.822 59.209 58.200 0.312 0.000 0.973 27 S CB -0.557 63.139 63.200 0.826 0.000 0.849 27 S HN 0.791 nan 8.310 nan 0.000 0.465 28 A N 1.863 124.690 122.820 0.013 0.000 1.892 28 A HA -0.238 4.081 4.320 -0.001 0.000 0.218 28 A C 2.018 179.467 177.584 -0.225 0.000 1.188 28 A CA 1.924 53.806 52.037 -0.257 0.000 0.631 28 A CB -0.816 18.142 19.000 -0.071 0.000 0.822 28 A HN 0.564 nan 8.150 nan 0.000 0.447 29 E N -0.605 119.556 120.200 -0.065 0.000 2.171 29 E HA -0.271 4.079 4.350 -0.001 0.000 0.197 29 E C 2.212 178.814 176.600 0.004 0.000 0.997 29 E CA 1.526 57.930 56.400 0.006 0.000 0.810 29 E CB -0.093 29.626 29.700 0.031 0.000 0.738 29 E HN 0.819 nan 8.360 nan 0.000 0.467 30 Q N -0.292 119.480 119.800 -0.046 0.000 2.008 30 Q HA -0.092 4.248 4.340 -0.001 0.000 0.196 30 Q C 2.372 178.344 176.000 -0.047 0.000 0.973 30 Q CA 1.265 57.059 55.803 -0.015 0.000 0.826 30 Q CB -0.201 28.533 28.738 -0.007 0.000 0.894 30 Q HN 0.209 nan 8.270 nan 0.000 0.439 31 V N 1.156 120.923 119.914 -0.244 0.000 2.490 31 V HA -0.219 3.900 4.120 -0.001 0.000 0.250 31 V C 1.921 177.862 176.094 -0.256 0.000 1.061 31 V CA 1.448 63.552 62.300 -0.326 0.000 1.064 31 V CB -0.253 31.106 31.823 -0.774 0.000 0.670 31 V HN 0.290 nan 8.190 nan 0.000 0.461 32 L N -1.348 119.718 121.223 -0.260 0.000 2.068 32 L HA -0.048 4.291 4.340 -0.001 0.000 0.204 32 L C 2.318 179.129 176.870 -0.097 0.000 1.076 32 L CA 1.939 56.633 54.840 -0.243 0.000 0.753 32 L CB -0.697 41.141 42.059 -0.370 0.000 0.910 32 L HN 0.437 nan 8.230 nan 0.000 0.439 33 F N 1.203 121.104 119.950 -0.081 0.000 2.161 33 F HA -0.320 4.207 4.527 -0.001 0.000 0.300 33 F C 2.730 178.533 175.800 0.004 0.000 1.089 33 F CA 2.162 60.174 58.000 0.019 0.000 1.282 33 F CB -0.670 38.342 39.000 0.020 0.000 1.010 33 F HN 0.131 nan 8.300 nan 0.000 0.485 34 Q N -0.081 119.746 119.800 0.044 0.000 2.002 34 Q HA -0.225 4.114 4.340 -0.001 0.000 0.204 34 Q C 2.467 178.383 176.000 -0.139 0.000 0.988 34 Q CA 2.422 58.208 55.803 -0.028 0.000 0.843 34 Q CB -1.687 27.051 28.738 -0.000 0.000 0.908 34 Q HN 0.495 nan 8.270 nan 0.000 0.420 35 S N -0.705 114.907 115.700 -0.148 0.000 2.368 35 S HA -0.130 4.339 4.470 -0.001 0.000 0.225 35 S C 2.094 176.555 174.600 -0.232 0.000 1.030 35 S CA 1.412 59.515 58.200 -0.161 0.000 0.999 35 S CB -0.431 62.681 63.200 -0.146 0.000 0.844 35 S HN 0.551 nan 8.310 nan 0.000 0.459 36 V N 1.815 121.539 119.914 -0.317 0.000 2.407 36 V HA -0.125 3.994 4.120 -0.001 0.000 0.248 36 V C 2.665 178.449 176.094 -0.517 0.000 1.055 36 V CA 1.714 63.716 62.300 -0.497 0.000 1.049 36 V CB -1.147 30.311 31.823 -0.608 0.000 0.662 36 V HN 0.576 nan 8.190 nan 0.000 0.455 37 A N -0.179 122.409 122.820 -0.386 0.000 1.968 37 A HA 0.059 4.378 4.320 -0.001 0.000 0.217 37 A C 2.387 179.928 177.584 -0.073 0.000 1.169 37 A CA 1.577 53.516 52.037 -0.164 0.000 0.638 37 A CB -0.553 18.215 19.000 -0.388 0.000 0.812 37 A HN 0.533 nan 8.150 nan 0.000 0.446 38 A N -0.419 122.325 122.820 -0.127 0.000 1.930 38 A HA -0.029 4.290 4.320 -0.001 0.000 0.217 38 A C 2.391 179.932 177.584 -0.072 0.000 1.175 38 A CA 1.988 53.981 52.037 -0.075 0.000 0.627 38 A CB -0.612 18.337 19.000 -0.085 0.000 0.815 38 A HN 0.440 nan 8.150 nan 0.000 0.443 39 S N -1.572 114.041 115.700 -0.145 0.000 2.377 39 S HA -0.116 4.353 4.470 -0.001 0.000 0.223 39 S C 1.608 176.099 174.600 -0.182 0.000 1.030 39 S CA 0.613 58.714 58.200 -0.164 0.000 0.970 39 S CB -0.459 62.572 63.200 -0.282 0.000 0.830 39 S HN 0.803 nan 8.310 nan 0.000 0.473 40 W N 2.989 124.055 121.300 -0.389 0.000 2.342 40 W HA -0.177 4.482 4.660 -0.001 0.000 0.297 40 W C 2.247 178.690 176.519 -0.128 0.000 1.213 40 W CA 1.440 58.590 57.345 -0.326 0.000 1.251 40 W CB -0.569 28.756 29.460 -0.226 0.000 1.136 40 W HN 0.335 nan 8.180 nan 0.000 0.526 41 A N -0.222 122.650 122.820 0.087 0.000 1.902 41 A HA -0.276 4.044 4.320 -0.001 0.000 0.217 41 A C 2.117 179.693 177.584 -0.013 0.000 1.181 41 A CA 1.863 53.944 52.037 0.072 0.000 0.623 41 A CB -1.598 17.457 19.000 0.092 0.000 0.818 41 A HN 0.583 nan 8.150 nan 0.000 0.443 42 H N -0.176 118.825 119.070 -0.115 0.000 2.253 42 H HA -0.155 4.401 4.556 -0.001 0.000 0.299 42 H C 1.492 176.736 175.328 -0.139 0.000 1.064 42 H CA 1.745 57.728 56.048 -0.107 0.000 1.264 42 H CB -0.135 29.571 29.762 -0.094 0.000 1.371 42 H HN 0.372 nan 8.280 nan 0.000 0.493 43 D N -0.187 120.000 120.400 -0.355 0.000 2.190 43 D HA -0.123 4.517 4.640 -0.001 0.000 0.200 43 D C 1.995 178.071 176.300 -0.374 0.000 0.992 43 D CA 1.567 55.334 54.000 -0.388 0.000 0.854 43 D CB -0.581 40.047 40.800 -0.286 0.000 0.936 43 D HN 0.410 nan 8.370 nan 0.000 0.462 44 T N -0.396 113.888 114.554 -0.450 0.000 2.995 44 T HA -0.086 4.263 4.350 -0.001 0.000 0.269 44 T C 0.739 175.325 174.700 -0.189 0.000 1.091 44 T CA 0.784 62.656 62.100 -0.380 0.000 1.128 44 T CB -0.003 68.590 68.868 -0.457 0.000 0.891 44 T HN 0.060 nan 8.240 nan 0.000 0.492 45 N N 0.619 119.221 118.700 -0.162 0.000 3.153 45 N HA 0.111 4.850 4.740 -0.001 0.000 0.208 45 N C -1.326 174.137 175.510 -0.080 0.000 1.462 45 N CA -0.318 52.679 53.050 -0.089 0.000 0.754 45 N CB -0.375 38.090 38.487 -0.036 0.000 1.558 45 N HN 0.090 nan 8.380 nan 0.000 0.605 46 I N 1.988 122.479 120.570 -0.131 0.000 2.752 46 I HA 0.033 4.202 4.170 -0.001 0.000 0.286 46 I C 1.295 177.425 176.117 0.021 0.000 1.180 46 I CA 0.522 61.763 61.300 -0.100 0.000 1.404 46 I CB -0.125 37.792 38.000 -0.139 0.000 1.389 46 I HN 0.576 nan 8.210 nan 0.000 0.549 47 T N 2.340 116.947 114.554 0.088 0.000 2.572 47 T HA 0.740 5.089 4.350 -0.001 0.000 0.244 47 T C 0.611 175.361 174.700 0.083 0.000 0.860 47 T CA -0.069 62.070 62.100 0.066 0.000 1.125 47 T CB 1.362 70.259 68.868 0.050 0.000 1.491 47 T HN 0.436 nan 8.240 nan 0.000 0.532 48 A N -0.929 121.921 122.820 0.050 0.000 2.287 48 A HA 0.350 4.669 4.320 -0.001 0.000 0.214 48 A C 2.036 179.628 177.584 0.013 0.000 1.228 48 A CA 0.055 52.110 52.037 0.030 0.000 0.939 48 A CB -0.302 18.710 19.000 0.020 0.000 0.992 48 A HN 0.670 nan 8.150 nan 0.000 0.502 49 E N 1.232 121.445 120.200 0.022 0.000 2.016 49 E HA -0.120 4.230 4.350 -0.001 0.000 0.190 49 E C 1.243 177.848 176.600 0.008 0.000 0.985 49 E CA 0.902 57.309 56.400 0.013 0.000 0.802 49 E CB -0.218 29.494 29.700 0.019 0.000 0.762 49 E HN 0.521 nan 8.360 nan 0.000 0.448 50 N N 0.839 119.559 118.700 0.033 0.000 2.289 50 N HA -0.129 4.611 4.740 -0.001 0.000 0.184 50 N C 1.656 177.144 175.510 -0.035 0.000 1.016 50 N CA 1.070 54.142 53.050 0.037 0.000 0.872 50 N CB -0.161 38.387 38.487 0.101 0.000 0.973 50 N HN 0.115 nan 8.380 nan 0.000 0.433 51 A N 1.406 124.182 122.820 -0.072 0.000 1.930 51 A HA -0.082 4.237 4.320 -0.001 0.000 0.217 51 A C 2.546 180.029 177.584 -0.169 0.000 1.175 51 A CA 1.994 53.870 52.037 -0.267 0.000 0.627 51 A CB -0.690 18.200 19.000 -0.184 0.000 0.815 51 A HN 0.405 nan 8.150 nan 0.000 0.443 52 R N -1.065 119.384 120.500 -0.084 0.000 2.090 52 R HA 0.002 4.342 4.340 -0.001 0.000 0.228 52 R C 2.520 178.788 176.300 -0.053 0.000 1.110 52 R CA 2.184 58.249 56.100 -0.058 0.000 0.973 52 R CB -1.651 28.630 30.300 -0.031 0.000 0.869 52 R HN 0.735 nan 8.270 nan 0.000 0.440 53 R N 0.818 121.290 120.500 -0.047 0.000 2.066 53 R HA -0.049 4.291 4.340 -0.001 0.000 0.232 53 R C 2.227 178.495 176.300 -0.054 0.000 1.131 53 R CA 1.779 57.858 56.100 -0.036 0.000 0.955 53 R CB -1.144 29.145 30.300 -0.018 0.000 0.851 53 R HN 0.731 nan 8.270 nan 0.000 0.432 54 Q N 0.527 120.274 119.800 -0.088 0.000 1.993 54 Q HA -0.191 4.148 4.340 -0.001 0.000 0.202 54 Q C 1.951 177.896 176.000 -0.091 0.000 0.984 54 Q CA 2.276 58.015 55.803 -0.107 0.000 0.837 54 Q CB -0.248 28.383 28.738 -0.179 0.000 0.902 54 Q HN 0.789 nan 8.270 nan 0.000 0.423 55 E N -0.241 119.898 120.200 -0.103 0.000 2.233 55 E HA -0.244 4.105 4.350 -0.001 0.000 0.199 55 E C 1.988 178.568 176.600 -0.033 0.000 1.004 55 E CA 1.464 57.825 56.400 -0.066 0.000 0.819 55 E CB 0.002 29.662 29.700 -0.067 0.000 0.738 55 E HN 0.635 nan 8.360 nan 0.000 0.478 56 E N 0.968 121.148 120.200 -0.033 0.000 2.033 56 E HA 0.047 4.397 4.350 -0.001 0.000 0.189 56 E C 2.054 178.647 176.600 -0.013 0.000 0.979 56 E CA 0.908 57.298 56.400 -0.016 0.000 0.802 56 E CB -0.779 28.913 29.700 -0.015 0.000 0.763 56 E HN 0.297 nan 8.360 nan 0.000 0.449 57 A N 1.146 123.951 122.820 -0.025 0.000 1.948 57 A HA 0.113 4.432 4.320 -0.001 0.000 0.220 57 A C 2.794 180.365 177.584 -0.022 0.000 1.177 57 A CA 2.806 54.825 52.037 -0.030 0.000 0.636 57 A CB -0.836 18.132 19.000 -0.054 0.000 0.815 57 A HN 1.030 nan 8.150 nan 0.000 0.449 58 A N -0.441 122.369 122.820 -0.018 0.000 1.877 58 A HA -0.059 4.260 4.320 -0.001 0.000 0.216 58 A C 2.176 179.779 177.584 0.031 0.000 1.186 58 A CA 1.504 53.546 52.037 0.008 0.000 0.620 58 A CB -0.603 18.406 19.000 0.014 0.000 0.822 58 A HN 0.480 nan 8.150 nan 0.000 0.443 59 L N -0.896 120.342 121.223 0.026 0.000 2.131 59 L HA -0.151 4.188 4.340 -0.001 0.000 0.210 59 L C 2.592 179.487 176.870 0.042 0.000 1.092 59 L CA 0.911 55.771 54.840 0.034 0.000 0.759 59 L CB -0.339 41.734 42.059 0.023 0.000 0.903 59 L HN 0.478 nan 8.230 nan 0.000 0.435 60 L N -0.932 120.312 121.223 0.035 0.000 1.976 60 L HA -0.257 4.082 4.340 -0.001 0.000 0.209 60 L C 2.720 179.642 176.870 0.087 0.000 1.071 60 L CA 1.616 56.486 54.840 0.050 0.000 0.746 60 L CB -0.151 41.921 42.059 0.022 0.000 0.890 60 L HN 0.199 nan 8.230 nan 0.000 0.432 61 S N -0.481 115.251 115.700 0.052 0.000 2.370 61 S HA -0.280 4.189 4.470 -0.001 0.000 0.226 61 S C 1.723 176.413 174.600 0.151 0.000 1.033 61 S CA 1.669 59.912 58.200 0.072 0.000 1.011 61 S CB -0.417 62.786 63.200 0.004 0.000 0.852 61 S HN 0.521 nan 8.310 nan 0.000 0.457 62 Q N 0.641 120.500 119.800 0.099 0.000 2.226 62 Q HA -0.132 4.207 4.340 -0.001 0.000 0.204 62 Q C 2.025 178.083 176.000 0.098 0.000 0.975 62 Q CA 1.035 56.886 55.803 0.080 0.000 0.866 62 Q CB -0.191 28.571 28.738 0.041 0.000 0.915 62 Q HN 0.628 nan 8.270 nan 0.000 0.440 63 E N 0.386 120.659 120.200 0.123 0.000 2.028 63 E HA -0.143 4.206 4.350 -0.001 0.000 0.190 63 E C 1.563 178.274 176.600 0.184 0.000 0.984 63 E CA 0.628 57.097 56.400 0.114 0.000 0.800 63 E CB -0.121 29.642 29.700 0.105 0.000 0.758 63 E HN 0.207 nan 8.360 nan 0.000 0.448 64 F N 1.727 121.746 119.950 0.115 0.000 2.024 64 F HA -0.348 4.178 4.527 -0.001 0.000 0.296 64 F C 2.205 178.205 175.800 0.333 0.000 1.137 64 F CA 2.056 60.206 58.000 0.250 0.000 1.200 64 F CB -0.709 38.428 39.000 0.228 0.000 0.954 64 F HN 0.013 nan 8.300 nan 0.000 0.497 65 A N -0.652 122.390 122.820 0.369 0.000 2.042 65 A HA -0.287 4.033 4.320 -0.001 0.000 0.222 65 A C 2.259 179.904 177.584 0.103 0.000 1.167 65 A CA 2.081 54.234 52.037 0.193 0.000 0.649 65 A CB -0.972 18.129 19.000 0.168 0.000 0.809 65 A HN 0.671 nan 8.150 nan 0.000 0.457 66 E N -0.453 119.792 120.200 0.075 0.000 2.122 66 E HA 0.015 4.365 4.350 -0.001 0.000 0.190 66 E C 2.242 178.834 176.600 -0.013 0.000 0.977 66 E CA 0.743 57.153 56.400 0.017 0.000 0.820 66 E CB -0.157 29.540 29.700 -0.005 0.000 0.770 66 E HN 0.530 nan 8.360 nan 0.000 0.462 67 A N 1.162 123.951 122.820 -0.050 0.000 1.834 67 A HA -0.205 4.115 4.320 -0.001 0.000 0.216 67 A C 1.861 179.346 177.584 -0.166 0.000 1.203 67 A CA 1.801 53.726 52.037 -0.187 0.000 0.621 67 A CB -1.425 17.357 19.000 -0.363 0.000 0.841 67 A HN 0.374 nan 8.150 nan 0.000 0.446 68 W N -0.220 120.922 121.300 -0.263 0.000 2.355 68 W HA 0.091 4.750 4.660 -0.001 0.000 0.309 68 W C 2.487 178.983 176.519 -0.038 0.000 1.206 68 W CA 0.618 57.867 57.345 -0.160 0.000 1.284 68 W CB -1.474 27.885 29.460 -0.169 0.000 1.145 68 W HN 0.376 nan 8.180 nan 0.000 0.502 69 G N 0.729 109.645 108.800 0.192 0.000 2.624 69 G HA2 -0.391 3.569 3.960 -0.001 0.000 0.221 69 G HA3 -0.391 3.569 3.960 -0.001 0.000 0.221 69 G C 1.655 176.581 174.900 0.043 0.000 1.169 69 G CA 3.063 48.214 45.100 0.085 0.000 0.771 69 G HN 0.428 nan 8.290 nan 0.000 0.598 70 Q N -0.227 119.582 119.800 0.014 0.000 2.124 70 Q HA 0.019 4.358 4.340 -0.001 0.000 0.202 70 Q C 2.684 178.676 176.000 -0.013 0.000 0.977 70 Q CA 3.099 58.891 55.803 -0.019 0.000 0.850 70 Q CB -1.002 27.709 28.738 -0.046 0.000 0.901 70 Q HN 0.834 nan 8.270 nan 0.000 0.429 71 K N 0.577 120.980 120.400 0.006 0.000 1.973 71 K HA 0.269 4.589 4.320 -0.001 0.000 0.212 71 K C 2.723 179.380 176.600 0.094 0.000 1.047 71 K CA 2.179 58.464 56.287 -0.005 0.000 0.937 71 K CB -1.537 30.928 32.500 -0.058 0.000 0.721 71 K HN 1.102 nan 8.250 nan 0.000 0.440 72 A N 1.086 124.108 122.820 0.337 0.000 1.896 72 A HA -0.196 4.124 4.320 -0.001 0.000 0.220 72 A C 2.662 180.299 177.584 0.087 0.000 1.206 72 A CA 4.021 56.267 52.037 0.349 0.000 0.647 72 A CB -1.299 17.787 19.000 0.143 0.000 0.828 72 A HN 0.862 nan 8.150 nan 0.000 0.455 73 K N -1.616 118.784 120.400 -0.001 0.000 1.978 73 K HA -0.068 4.252 4.320 -0.001 0.000 0.214 73 K C 2.112 178.707 176.600 -0.007 0.000 1.049 73 K CA 2.579 58.836 56.287 -0.050 0.000 0.939 73 K CB -1.705 30.759 32.500 -0.060 0.000 0.721 73 K HN 0.965 nan 8.250 nan 0.000 0.441 74 E N 0.069 120.256 120.200 -0.022 0.000 2.502 74 E HA 0.354 4.703 4.350 -0.001 0.000 0.194 74 E C 1.877 178.450 176.600 -0.045 0.000 1.062 74 E CA 0.815 57.203 56.400 -0.020 0.000 0.867 74 E CB -0.316 29.368 29.700 -0.028 0.000 0.888 74 E HN 0.340 nan 8.360 nan 0.000 0.510 75 L N -1.180 119.955 121.223 -0.147 0.000 2.145 75 L HA 0.174 4.513 4.340 -0.001 0.000 0.201 75 L C 1.301 178.177 176.870 0.010 0.000 1.075 75 L CA 1.229 55.881 54.840 -0.314 0.000 0.773 75 L CB -0.123 41.291 42.059 -1.074 0.000 0.936 75 L HN 0.563 nan 8.230 nan 0.000 0.451 76 Y N -1.534 118.828 120.300 0.103 0.000 2.751 76 Y HA 0.214 4.764 4.550 -0.001 0.000 0.289 76 Y C 1.384 177.350 175.900 0.109 0.000 1.110 76 Y CA -0.310 57.849 58.100 0.098 0.000 1.251 76 Y CB 0.208 38.713 38.460 0.076 0.000 1.178 76 Y HN 0.209 nan 8.280 nan 0.000 0.540 77 E N 1.220 121.573 120.200 0.254 0.000 2.476 77 E HA 0.151 4.500 4.350 -0.001 0.000 0.199 77 E C -2.125 174.722 176.600 0.412 0.000 1.021 77 E CA -0.772 55.824 56.400 0.327 0.000 0.907 77 E CB 0.159 29.940 29.700 0.134 0.000 0.974 77 E HN 0.193 nan 8.360 nan 0.000 0.489 78 P HA 0.293 nan 4.420 nan 0.000 0.270 78 P C -0.847 176.558 177.300 0.174 0.000 1.551 78 P CA 0.506 63.713 63.100 0.177 0.000 1.049 78 P CB 1.073 32.855 31.700 0.138 0.000 1.397 79 I N 2.950 123.594 120.570 0.124 0.000 6.251 79 I HA -0.118 4.051 4.170 -0.001 0.000 0.126 79 I C 0.727 176.893 176.117 0.081 0.000 1.823 79 I CA 0.668 61.992 61.300 0.041 0.000 2.038 79 I CB -2.276 35.739 38.000 0.026 0.000 3.460 79 I HN 0.701 nan 8.210 nan 0.000 0.169 80 W N 0.373 121.661 121.300 -0.021 0.000 2.993 80 W HA 0.427 5.086 4.660 -0.001 0.000 0.290 80 W C 1.456 177.945 176.519 -0.050 0.000 1.203 80 W CA 1.257 58.569 57.345 -0.056 0.000 1.582 80 W CB -0.769 28.678 29.460 -0.023 0.000 1.033 80 W HN 1.457 nan 8.180 nan 0.000 0.594 81 Q N 1.926 121.228 119.800 -0.830 0.000 2.187 81 Q HA 0.001 4.340 4.340 -0.001 0.000 0.199 81 Q C 1.068 176.862 176.000 -0.344 0.000 0.957 81 Q CA 1.256 56.587 55.803 -0.786 0.000 0.857 81 Q CB -0.921 27.347 28.738 -0.783 0.000 0.929 81 Q HN 0.276 nan 8.270 nan 0.000 0.453 82 N N 0.163 118.725 118.700 -0.231 0.000 3.209 82 N HA 0.366 5.105 4.740 -0.001 0.000 0.309 82 N C -0.573 174.889 175.510 -0.081 0.000 1.384 82 N CA 0.282 53.255 53.050 -0.128 0.000 1.173 82 N CB -0.563 37.867 38.487 -0.095 0.000 1.460 82 N HN 0.557 nan 8.380 nan 0.000 0.534 83 F N -0.329 119.574 119.950 -0.078 0.000 2.368 83 F HA 0.567 5.094 4.527 -0.001 0.000 0.308 83 F C 1.944 177.718 175.800 -0.043 0.000 1.198 83 F CA -0.327 57.640 58.000 -0.055 0.000 1.130 83 F CB -0.512 38.457 39.000 -0.051 0.000 1.300 83 F HN 0.240 nan 8.300 nan 0.000 0.537 84 T N -1.129 113.406 114.554 -0.033 0.000 3.160 84 T HA 0.226 4.576 4.350 -0.001 0.000 0.257 84 T C 0.294 174.982 174.700 -0.020 0.000 1.147 84 T CA 1.297 63.384 62.100 -0.023 0.000 1.064 84 T CB -0.431 68.428 68.868 -0.015 0.000 0.949 84 T HN 0.511 nan 8.240 nan 0.000 0.526 85 D N 1.168 121.552 120.400 -0.027 0.000 2.378 85 D HA 0.274 4.914 4.640 -0.001 0.000 0.265 85 D C -3.025 173.264 176.300 -0.018 0.000 1.229 85 D CA -1.647 52.340 54.000 -0.021 0.000 0.914 85 D CB 1.940 42.724 40.800 -0.026 0.000 1.140 85 D HN -0.056 nan 8.370 nan 0.000 0.516 86 P HA 0.141 nan 4.420 nan 0.000 0.256 86 P C 0.209 177.511 177.300 0.004 0.000 1.688 86 P CA 0.347 63.446 63.100 -0.001 0.000 1.162 86 P CB 0.510 32.209 31.700 -0.001 0.000 1.870 87 Q N 1.891 121.692 119.800 0.002 0.000 2.322 87 Q HA 0.064 4.404 4.340 -0.001 0.000 0.250 87 Q C 1.999 177.998 176.000 -0.003 0.000 0.853 87 Q CA 0.129 55.935 55.803 0.005 0.000 0.951 87 Q CB -0.219 28.524 28.738 0.008 0.000 1.114 87 Q HN 0.212 nan 8.270 nan 0.000 0.523 88 L N 0.503 121.718 121.223 -0.014 0.000 2.005 88 L HA -0.015 4.325 4.340 -0.001 0.000 0.207 88 L C 2.657 179.523 176.870 -0.006 0.000 1.072 88 L CA 2.641 57.461 54.840 -0.033 0.000 0.744 88 L CB -2.464 39.561 42.059 -0.056 0.000 0.895 88 L HN 0.437 nan 8.230 nan 0.000 0.433 89 R N -0.110 120.407 120.500 0.027 0.000 2.105 89 R HA -0.138 4.202 4.340 -0.001 0.000 0.239 89 R C 2.678 179.080 176.300 0.171 0.000 1.135 89 R CA 3.226 59.397 56.100 0.118 0.000 0.967 89 R CB -1.921 28.404 30.300 0.042 0.000 0.861 89 R HN 0.960 nan 8.270 nan 0.000 0.442 90 R N 1.254 121.805 120.500 0.085 0.000 2.117 90 R HA -0.008 4.332 4.340 -0.001 0.000 0.243 90 R C 2.410 178.753 176.300 0.071 0.000 1.143 90 R CA 1.901 58.047 56.100 0.078 0.000 0.968 90 R CB -1.073 29.246 30.300 0.031 0.000 0.863 90 R HN 0.682 nan 8.270 nan 0.000 0.444 91 I N 0.102 120.687 120.570 0.024 0.000 2.162 91 I HA -0.088 4.081 4.170 -0.001 0.000 0.238 91 I C 2.732 178.807 176.117 -0.070 0.000 1.076 91 I CA 1.608 62.890 61.300 -0.030 0.000 1.353 91 I CB -0.827 37.127 38.000 -0.078 0.000 1.063 91 I HN 0.378 nan 8.210 nan 0.000 0.408 92 I N 1.729 122.240 120.570 -0.099 0.000 2.399 92 I HA -0.191 3.979 4.170 -0.001 0.000 0.254 92 I C 2.230 178.144 176.117 -0.339 0.000 1.146 92 I CA 1.993 63.162 61.300 -0.219 0.000 1.412 92 I CB -0.381 37.522 38.000 -0.161 0.000 1.076 92 I HN 0.139 nan 8.210 nan 0.000 0.432 93 G N -0.088 108.649 108.800 -0.106 0.000 2.430 93 G HA2 -0.054 3.905 3.960 -0.001 0.000 0.216 93 G HA3 -0.054 3.905 3.960 -0.001 0.000 0.216 93 G C 1.627 176.512 174.900 -0.025 0.000 1.146 93 G CA 0.442 45.438 45.100 -0.173 0.000 0.793 93 G HN 0.574 nan 8.290 nan 0.000 0.537 94 A N -0.282 122.557 122.820 0.031 0.000 2.169 94 A HA 0.422 4.741 4.320 -0.001 0.000 0.212 94 A C 2.133 179.734 177.584 0.028 0.000 1.153 94 A CA 0.861 52.943 52.037 0.073 0.000 0.756 94 A CB 0.050 19.089 19.000 0.065 0.000 0.813 94 A HN 0.223 nan 8.150 nan 0.000 0.471 95 V N -0.011 119.869 119.914 -0.056 0.000 3.431 95 V HA -0.024 4.096 4.120 -0.001 0.000 0.253 95 V C 1.968 178.032 176.094 -0.050 0.000 1.184 95 V CA 1.270 63.537 62.300 -0.054 0.000 1.104 95 V CB -0.217 31.541 31.823 -0.108 0.000 0.799 95 V HN 0.783 nan 8.190 nan 0.000 0.462 96 R N -0.574 119.847 120.500 -0.133 0.000 2.391 96 R HA 0.165 4.505 4.340 -0.001 0.000 0.249 96 R C 0.331 176.593 176.300 -0.063 0.000 0.957 96 R CA 0.204 56.220 56.100 -0.140 0.000 1.093 96 R CB -0.175 29.933 30.300 -0.321 0.000 1.156 96 R HN 0.170 nan 8.270 nan 0.000 0.526 97 T N 1.592 116.156 114.554 0.017 0.000 3.149 97 T HA 0.318 4.667 4.350 -0.001 0.000 0.373 97 T C 1.052 175.793 174.700 0.068 0.000 1.364 97 T CA -0.574 61.590 62.100 0.107 0.000 1.110 97 T CB 0.413 69.434 68.868 0.256 0.000 1.127 97 T HN 0.254 nan 8.240 nan 0.000 0.576 98 L N 2.270 123.492 121.223 -0.001 0.000 2.083 98 L HA 0.134 4.473 4.340 -0.001 0.000 0.209 98 L C 2.036 178.832 176.870 -0.124 0.000 1.083 98 L CA 0.859 55.672 54.840 -0.044 0.000 0.752 98 L CB -1.197 40.819 42.059 -0.071 0.000 0.899 98 L HN 0.774 nan 8.230 nan 0.000 0.433 99 G N 0.688 109.322 108.800 -0.275 0.000 2.514 99 G HA2 -0.398 3.561 3.960 -0.001 0.000 0.265 99 G HA3 -0.398 3.561 3.960 -0.001 0.000 0.265 99 G C 0.832 175.300 174.900 -0.720 0.000 1.150 99 G CA 0.620 45.318 45.100 -0.670 0.000 0.959 99 G HN 0.410 nan 8.290 nan 0.000 0.556 100 S N 0.768 116.121 115.700 -0.579 0.000 2.547 100 S HA 0.325 4.795 4.470 -0.001 0.000 0.235 100 S C 2.378 176.782 174.600 -0.327 0.000 0.980 100 S CA 1.509 59.367 58.200 -0.570 0.000 0.941 100 S CB -0.170 62.658 63.200 -0.620 0.000 0.763 100 S HN 2.049 nan 8.310 nan 0.000 0.532 101 A N 2.374 125.062 122.820 -0.220 0.000 2.172 101 A HA 0.034 4.354 4.320 -0.001 0.000 0.216 101 A C 1.970 179.475 177.584 -0.133 0.000 1.154 101 A CA 0.851 52.815 52.037 -0.121 0.000 0.701 101 A CB -0.664 18.302 19.000 -0.057 0.000 0.789 101 A HN 0.690 nan 8.150 nan 0.000 0.465 102 N N -0.389 118.195 118.700 -0.194 0.000 2.515 102 N HA 0.073 4.812 4.740 -0.001 0.000 0.185 102 N C -0.189 175.231 175.510 -0.151 0.000 1.109 102 N CA 0.143 53.096 53.050 -0.162 0.000 0.903 102 N CB 0.080 38.453 38.487 -0.190 0.000 0.969 102 N HN 0.424 nan 8.380 nan 0.000 0.450 103 L N 2.035 123.154 121.223 -0.173 0.000 2.326 103 L HA 0.306 4.645 4.340 -0.001 0.000 0.278 103 L C -2.138 174.679 176.870 -0.088 0.000 1.092 103 L CA -1.771 52.984 54.840 -0.142 0.000 0.810 103 L CB 0.701 42.655 42.059 -0.175 0.000 1.153 103 L HN -0.262 nan 8.230 nan 0.000 0.439 104 P HA -0.030 nan 4.420 nan 0.000 0.269 104 P C 1.104 178.385 177.300 -0.031 0.000 1.217 104 P CA -0.057 63.016 63.100 -0.045 0.000 0.783 104 P CB 0.520 32.196 31.700 -0.040 0.000 0.898 105 L N 1.969 123.179 121.223 -0.022 0.000 2.010 105 L HA -0.297 4.043 4.340 -0.001 0.000 0.219 105 L C 2.377 179.246 176.870 -0.003 0.000 1.077 105 L CA 3.363 58.197 54.840 -0.010 0.000 0.773 105 L CB -2.628 39.425 42.059 -0.010 0.000 0.892 105 L HN 0.572 nan 8.230 nan 0.000 0.436 106 A N -1.303 121.514 122.820 -0.006 0.000 1.883 106 A HA -0.258 4.061 4.320 -0.001 0.000 0.217 106 A C 2.517 180.107 177.584 0.010 0.000 1.186 106 A CA 2.056 54.093 52.037 0.001 0.000 0.624 106 A CB -0.623 18.374 19.000 -0.005 0.000 0.822 106 A HN 0.739 nan 8.150 nan 0.000 0.444 107 K N -0.749 119.652 120.400 0.002 0.000 2.097 107 K HA -0.067 4.252 4.320 -0.001 0.000 0.205 107 K C 2.319 178.947 176.600 0.047 0.000 1.050 107 K CA 1.186 57.481 56.287 0.013 0.000 0.938 107 K CB -0.152 32.336 32.500 -0.020 0.000 0.718 107 K HN 0.399 nan 8.250 nan 0.000 0.442 108 R N 0.891 121.406 120.500 0.026 0.000 2.096 108 R HA -0.213 4.126 4.340 -0.001 0.000 0.240 108 R C 2.338 178.706 176.300 0.113 0.000 1.139 108 R CA 2.025 58.163 56.100 0.062 0.000 0.952 108 R CB -0.319 29.997 30.300 0.026 0.000 0.854 108 R HN 0.422 nan 8.270 nan 0.000 0.436 109 Q N 0.356 120.195 119.800 0.065 0.000 2.224 109 Q HA -0.153 4.186 4.340 -0.001 0.000 0.203 109 Q C 1.917 177.954 176.000 0.062 0.000 0.970 109 Q CA 1.024 56.859 55.803 0.054 0.000 0.865 109 Q CB -0.124 28.630 28.738 0.026 0.000 0.922 109 Q HN 0.498 nan 8.270 nan 0.000 0.445 110 Q N 0.178 120.023 119.800 0.076 0.000 2.016 110 Q HA -0.182 4.157 4.340 -0.001 0.000 0.200 110 Q C 1.769 177.837 176.000 0.114 0.000 0.978 110 Q CA 1.431 57.280 55.803 0.076 0.000 0.833 110 Q CB -0.273 28.508 28.738 0.071 0.000 0.895 110 Q HN 0.341 nan 8.270 nan 0.000 0.427 111 Y N 2.632 122.954 120.300 0.037 0.000 2.006 111 Y HA -0.330 4.219 4.550 -0.001 0.000 0.266 111 Y C 1.944 177.897 175.900 0.087 0.000 1.133 111 Y CA 2.045 60.192 58.100 0.079 0.000 1.098 111 Y CB -0.542 37.946 38.460 0.046 0.000 0.969 111 Y HN 0.155 nan 8.280 nan 0.000 0.482 112 N N 0.339 119.100 118.700 0.101 0.000 2.247 112 N HA -0.233 4.507 4.740 -0.001 0.000 0.189 112 N C 1.742 177.210 175.510 -0.069 0.000 1.009 112 N CA 1.492 54.537 53.050 -0.009 0.000 0.872 112 N CB -0.697 37.820 38.487 0.050 0.000 0.980 112 N HN 0.567 nan 8.380 nan 0.000 0.436 113 A N 0.736 123.535 122.820 -0.035 0.000 1.935 113 A HA 0.127 4.446 4.320 -0.001 0.000 0.214 113 A C 2.376 179.930 177.584 -0.049 0.000 1.178 113 A CA 0.244 52.257 52.037 -0.040 0.000 0.640 113 A CB -0.458 18.535 19.000 -0.011 0.000 0.825 113 A HN 0.147 nan 8.150 nan 0.000 0.447 114 L N -0.258 120.940 121.223 -0.041 0.000 2.079 114 L HA -0.202 4.138 4.340 -0.001 0.000 0.210 114 L C 2.536 179.348 176.870 -0.096 0.000 1.081 114 L CA 1.070 55.895 54.840 -0.025 0.000 0.752 114 L CB -0.519 41.570 42.059 0.051 0.000 0.896 114 L HN 0.402 nan 8.230 nan 0.000 0.433 115 L N -1.113 119.993 121.223 -0.194 0.000 1.994 115 L HA -0.245 4.095 4.340 -0.001 0.000 0.208 115 L C 2.843 179.634 176.870 -0.131 0.000 1.071 115 L CA 1.651 56.354 54.840 -0.227 0.000 0.745 115 L CB -0.741 41.153 42.059 -0.274 0.000 0.892 115 L HN 0.258 nan 8.230 nan 0.000 0.431 116 S N 0.020 115.654 115.700 -0.110 0.000 2.383 116 S HA -0.185 4.285 4.470 -0.001 0.000 0.229 116 S C 1.836 176.427 174.600 -0.015 0.000 1.030 116 S CA 1.682 59.833 58.200 -0.081 0.000 1.002 116 S CB -0.264 62.838 63.200 -0.164 0.000 0.829 116 S HN 0.405 nan 8.310 nan 0.000 0.467 117 N N 0.822 119.506 118.700 -0.027 0.000 2.171 117 N HA 0.066 4.805 4.740 -0.001 0.000 0.184 117 N C 1.762 177.283 175.510 0.017 0.000 1.021 117 N CA 1.301 54.353 53.050 0.004 0.000 0.854 117 N CB -0.499 37.988 38.487 0.001 0.000 0.994 117 N HN 0.453 nan 8.380 nan 0.000 0.426 118 M N 0.079 119.675 119.600 -0.005 0.000 2.067 118 M HA -0.153 4.326 4.480 -0.001 0.000 0.260 118 M C 2.264 178.567 176.300 0.005 0.000 1.069 118 M CA 1.309 56.610 55.300 0.001 0.000 1.117 118 M CB -0.222 32.353 32.600 -0.042 0.000 1.334 118 M HN 0.091 nan 8.290 nan 0.000 0.407 119 S N -0.113 115.569 115.700 -0.029 0.000 2.370 119 S HA -0.204 4.265 4.470 -0.001 0.000 0.226 119 S C 2.092 176.746 174.600 0.090 0.000 1.033 119 S CA 1.361 59.553 58.200 -0.014 0.000 1.011 119 S CB -0.338 62.860 63.200 -0.003 0.000 0.852 119 S HN 0.388 nan 8.310 nan 0.000 0.457 120 R N 0.641 121.202 120.500 0.100 0.000 2.066 120 R HA -0.000 4.339 4.340 -0.001 0.000 0.232 120 R C 2.301 178.652 176.300 0.085 0.000 1.131 120 R CA 1.769 57.931 56.100 0.104 0.000 0.955 120 R CB -0.826 29.537 30.300 0.105 0.000 0.851 120 R HN 0.568 nan 8.270 nan 0.000 0.432 121 I N 0.023 120.636 120.570 0.072 0.000 2.208 121 I HA -0.328 3.841 4.170 -0.001 0.000 0.245 121 I C 2.370 178.524 176.117 0.061 0.000 1.097 121 I CA 1.517 62.847 61.300 0.049 0.000 1.363 121 I CB -0.510 37.513 38.000 0.038 0.000 1.051 121 I HN 0.205 nan 8.210 nan 0.000 0.413 122 Y N 1.428 121.723 120.300 -0.008 0.000 2.145 122 Y HA -0.220 4.329 4.550 -0.001 0.000 0.286 122 Y C 2.518 178.528 175.900 0.183 0.000 1.145 122 Y CA 1.776 59.902 58.100 0.043 0.000 1.148 122 Y CB -0.152 38.304 38.460 -0.006 0.000 0.981 122 Y HN -0.001 nan 8.280 nan 0.000 0.507 123 S N -0.766 115.053 115.700 0.198 0.000 2.701 123 S HA -0.001 4.469 4.470 -0.001 0.000 0.220 123 S C 1.187 175.837 174.600 0.082 0.000 0.954 123 S CA 1.017 59.306 58.200 0.149 0.000 0.936 123 S CB -0.184 63.133 63.200 0.195 0.000 0.777 123 S HN 0.507 nan 8.310 nan 0.000 0.518 124 T N 1.113 115.700 114.554 0.056 0.000 2.964 124 T HA 0.343 4.692 4.350 -0.001 0.000 0.250 124 T C 0.849 175.570 174.700 0.036 0.000 0.982 124 T CA 0.104 62.230 62.100 0.043 0.000 0.959 124 T CB 0.200 69.087 68.868 0.032 0.000 1.141 124 T HN 0.371 nan 8.240 nan 0.000 0.494 125 A N 1.960 124.781 122.820 0.003 0.000 2.587 125 A HA 0.514 4.834 4.320 -0.001 0.000 0.235 125 A C 0.488 178.130 177.584 0.097 0.000 1.044 125 A CA 0.439 52.454 52.037 -0.037 0.000 0.754 125 A CB -0.264 18.568 19.000 -0.279 0.000 0.968 125 A HN 0.555 nan 8.150 nan 0.000 0.509 126 K N 0.938 121.370 120.400 0.054 0.000 2.480 126 K HA 0.749 5.068 4.320 -0.001 0.000 0.258 126 K C -1.123 175.513 176.600 0.061 0.000 0.990 126 K CA -0.240 56.106 56.287 0.100 0.000 0.857 126 K CB 1.808 34.342 32.500 0.057 0.000 1.384 126 K HN 1.220 nan 8.250 nan 0.000 0.446 127 V N 0.864 120.827 119.914 0.081 0.000 2.444 127 V HA 0.472 4.591 4.120 -0.001 0.000 0.294 127 V C -0.406 175.598 176.094 -0.151 0.000 1.022 127 V CA -1.066 61.232 62.300 -0.004 0.000 0.850 127 V CB 0.837 32.727 31.823 0.112 0.000 0.992 127 V HN 1.019 nan 8.190 nan 0.000 0.426 128 c N 5.580 124.086 118.600 -0.157 0.000 2.401 128 c HA 0.887 5.456 4.570 -0.001 0.000 0.356 128 c C -0.223 173.786 174.090 -0.136 0.000 1.192 128 c CA -0.779 55.431 56.329 -0.199 0.000 2.028 128 c CB 1.166 43.604 42.510 -0.120 0.000 2.344 128 c HN 0.699 nan 8.230 nan 0.000 0.525 129 L N 0.651 121.771 121.223 -0.172 0.000 2.301 129 L HA 0.534 4.873 4.340 -0.001 0.000 0.264 129 L C -1.998 174.827 176.870 -0.075 0.000 1.016 129 L CA -2.019 52.771 54.840 -0.083 0.000 0.821 129 L CB -0.510 41.383 42.059 -0.277 0.000 1.346 129 L HN 0.264 nan 8.230 nan 0.000 0.429 130 P HA -0.181 nan 4.420 nan 0.000 0.233 130 P C -0.331 176.929 177.300 -0.067 0.000 1.157 130 P CA 1.197 64.261 63.100 -0.060 0.000 0.764 130 P CB -0.154 31.497 31.700 -0.082 0.000 0.798 131 N N 0.230 118.880 118.700 -0.084 0.000 2.589 131 N HA 0.234 4.974 4.740 -0.001 0.000 0.232 131 N C 0.063 175.534 175.510 -0.065 0.000 1.015 131 N CA -0.225 52.782 53.050 -0.072 0.000 0.931 131 N CB 0.190 38.629 38.487 -0.081 0.000 1.150 131 N HN -0.159 nan 8.380 nan 0.000 0.512 132 K N 2.439 122.810 120.400 -0.048 0.000 2.333 132 K HA 0.267 4.586 4.320 -0.001 0.000 0.241 132 K C 0.904 177.484 176.600 -0.033 0.000 1.193 132 K CA 0.033 56.295 56.287 -0.042 0.000 1.142 132 K CB -0.307 32.173 32.500 -0.033 0.000 1.731 132 K HN 0.756 nan 8.250 nan 0.000 0.344 133 T N -0.844 113.688 114.554 -0.036 0.000 3.014 133 T HA 0.537 4.887 4.350 -0.001 0.000 0.250 133 T C 1.385 176.071 174.700 -0.022 0.000 1.060 133 T CA 1.274 63.360 62.100 -0.023 0.000 1.040 133 T CB -0.134 68.723 68.868 -0.018 0.000 0.971 133 T HN 1.936 nan 8.240 nan 0.000 0.497 134 A N -0.179 122.619 122.820 -0.037 0.000 3.095 134 A HA 0.223 4.542 4.320 -0.001 0.000 0.248 134 A C 0.689 178.255 177.584 -0.031 0.000 1.369 134 A CA 1.340 53.356 52.037 -0.035 0.000 0.843 134 A CB -2.580 16.409 19.000 -0.018 0.000 1.064 134 A HN 1.709 nan 8.150 nan 0.000 0.636 135 T N -0.309 114.214 114.554 -0.051 0.000 2.728 135 T HA 0.517 4.866 4.350 -0.001 0.000 0.296 135 T C -0.069 174.545 174.700 -0.142 0.000 0.940 135 T CA 0.441 62.516 62.100 -0.043 0.000 1.013 135 T CB 0.261 69.119 68.868 -0.017 0.000 0.912 135 T HN 1.240 nan 8.240 nan 0.000 0.484 136 c N 4.504 123.044 118.600 -0.101 0.000 2.481 136 c HA 0.627 5.197 4.570 -0.001 0.000 0.324 136 c C -0.678 173.418 174.090 0.010 0.000 1.170 136 c CA -1.466 54.765 56.329 -0.164 0.000 1.361 136 c CB 0.666 43.131 42.510 -0.074 0.000 1.977 136 c HN 0.863 nan 8.230 nan 0.000 0.459 137 W N 2.004 123.341 121.300 0.062 0.000 2.261 137 W HA 0.551 5.211 4.660 -0.001 0.000 0.323 137 W C 0.668 177.219 176.519 0.054 0.000 1.243 137 W CA -0.295 57.081 57.345 0.052 0.000 1.210 137 W CB 0.665 30.160 29.460 0.058 0.000 1.149 137 W HN 0.617 nan 8.180 nan 0.000 0.562 138 S N 1.032 116.887 115.700 0.258 0.000 2.739 138 S HA 0.370 4.839 4.470 -0.001 0.000 0.306 138 S C 0.716 175.342 174.600 0.043 0.000 1.115 138 S CA -0.673 57.624 58.200 0.162 0.000 0.985 138 S CB 1.188 64.457 63.200 0.115 0.000 1.133 138 S HN 0.358 nan 8.310 nan 0.000 0.541 139 L N 1.655 122.807 121.223 -0.119 0.000 2.042 139 L HA 0.149 4.488 4.340 -0.001 0.000 0.210 139 L C 0.335 177.088 176.870 -0.196 0.000 1.076 139 L CA 2.070 56.670 54.840 -0.399 0.000 0.749 139 L CB -0.319 41.243 42.059 -0.828 0.000 0.893 139 L HN 0.733 nan 8.230 nan 0.000 0.432 140 D N -1.458 118.893 120.400 -0.083 0.000 2.389 140 D HA 0.279 4.918 4.640 -0.001 0.000 0.256 140 D C -2.209 174.093 176.300 0.003 0.000 1.239 140 D CA -1.609 52.374 54.000 -0.028 0.000 0.925 140 D CB 1.398 42.206 40.800 0.013 0.000 1.145 140 D HN 0.119 nan 8.370 nan 0.000 0.542 141 P HA 0.206 nan 4.420 nan 0.000 0.280 141 P C 0.697 177.950 177.300 -0.077 0.000 1.204 141 P CA -0.082 63.000 63.100 -0.030 0.000 0.908 141 P CB 1.482 33.174 31.700 -0.013 0.000 1.326 142 D N 0.875 121.231 120.400 -0.072 0.000 2.133 142 D HA -0.127 4.512 4.640 -0.001 0.000 0.192 142 D C 2.006 178.121 176.300 -0.308 0.000 1.001 142 D CA 1.276 55.162 54.000 -0.189 0.000 0.844 142 D CB -0.071 40.680 40.800 -0.081 0.000 0.944 142 D HN 0.221 nan 8.370 nan 0.000 0.447 143 L N 0.244 121.358 121.223 -0.181 0.000 2.071 143 L HA -0.077 4.263 4.340 -0.001 0.000 0.201 143 L C 2.664 179.427 176.870 -0.180 0.000 1.076 143 L CA 0.840 55.571 54.840 -0.182 0.000 0.755 143 L CB -0.982 41.011 42.059 -0.111 0.000 0.915 143 L HN -0.072 nan 8.230 nan 0.000 0.445 144 T N 0.480 114.932 114.554 -0.170 0.000 2.736 144 T HA -0.245 4.104 4.350 -0.001 0.000 0.265 144 T C 1.634 176.285 174.700 -0.081 0.000 1.031 144 T CA 2.054 64.088 62.100 -0.111 0.000 1.155 144 T CB -0.310 68.524 68.868 -0.056 0.000 0.849 144 T HN 0.296 nan 8.240 nan 0.000 0.471 145 N N 0.461 119.097 118.700 -0.107 0.000 2.250 145 N HA 0.129 4.868 4.740 -0.001 0.000 0.181 145 N C 1.863 177.305 175.510 -0.113 0.000 1.017 145 N CA 0.715 53.708 53.050 -0.096 0.000 0.866 145 N CB -0.322 38.099 38.487 -0.110 0.000 0.985 145 N HN 0.428 nan 8.380 nan 0.000 0.429 146 I N 0.261 120.726 120.570 -0.174 0.000 2.315 146 I HA -0.171 3.998 4.170 -0.001 0.000 0.248 146 I C 1.287 177.356 176.117 -0.080 0.000 1.117 146 I CA 0.849 62.049 61.300 -0.167 0.000 1.404 146 I CB -0.088 37.756 38.000 -0.261 0.000 1.071 146 I HN 0.001 nan 8.210 nan 0.000 0.419 147 L N 0.209 121.391 121.223 -0.068 0.000 2.591 147 L HA 0.127 4.466 4.340 -0.001 0.000 0.228 147 L C 1.994 178.856 176.870 -0.015 0.000 1.133 147 L CA 0.465 55.286 54.840 -0.032 0.000 0.880 147 L CB -0.075 41.962 42.059 -0.038 0.000 1.033 147 L HN 0.138 nan 8.230 nan 0.000 0.450 148 A N -1.885 120.925 122.820 -0.016 0.000 2.127 148 A HA 0.138 4.457 4.320 -0.001 0.000 0.204 148 A C 1.880 179.472 177.584 0.014 0.000 1.243 148 A CA 0.814 52.858 52.037 0.013 0.000 0.887 148 A CB 0.154 19.163 19.000 0.015 0.000 0.933 148 A HN 0.330 nan 8.150 nan 0.000 0.479 149 S N -1.654 114.044 115.700 -0.004 0.000 2.728 149 S HA 0.253 4.722 4.470 -0.001 0.000 0.257 149 S C 0.521 175.122 174.600 0.001 0.000 1.060 149 S CA 0.469 58.670 58.200 0.002 0.000 1.126 149 S CB -0.359 62.839 63.200 -0.004 0.000 1.099 149 S HN 0.341 nan 8.310 nan 0.000 0.617 150 S N 1.942 117.638 115.700 -0.007 0.000 2.565 150 S HA 0.491 4.960 4.470 -0.001 0.000 0.274 150 S C 0.143 174.771 174.600 0.045 0.000 1.309 150 S CA -0.517 57.686 58.200 0.006 0.000 1.043 150 S CB 0.275 63.469 63.200 -0.011 0.000 0.939 150 S HN 0.303 nan 8.310 nan 0.000 0.504 151 R N 2.745 123.289 120.500 0.072 0.000 2.776 151 R HA 0.268 4.607 4.340 -0.001 0.000 0.391 151 R C -0.463 175.960 176.300 0.205 0.000 1.116 151 R CA -0.221 55.972 56.100 0.155 0.000 1.056 151 R CB -0.172 30.170 30.300 0.070 0.000 1.369 151 R HN 0.462 nan 8.270 nan 0.000 0.590 152 S N 0.222 116.006 115.700 0.140 0.000 2.438 152 S HA 0.169 4.638 4.470 -0.001 0.000 0.316 152 S C 0.765 175.428 174.600 0.105 0.000 1.084 152 S CA -0.578 57.704 58.200 0.138 0.000 1.107 152 S CB 0.613 63.869 63.200 0.094 0.000 0.981 152 S HN 0.409 nan 8.310 nan 0.000 0.466 153 Y N 5.456 125.737 120.300 -0.032 0.000 2.128 153 Y HA -0.132 4.417 4.550 -0.001 0.000 0.284 153 Y C 2.199 178.016 175.900 -0.137 0.000 1.154 153 Y CA 2.380 60.335 58.100 -0.241 0.000 1.149 153 Y CB -0.543 37.615 38.460 -0.504 0.000 0.976 153 Y HN 0.832 nan 8.280 nan 0.000 0.505 154 A N 0.305 123.164 122.820 0.065 0.000 1.851 154 A HA -0.281 4.038 4.320 -0.001 0.000 0.216 154 A C 2.436 180.087 177.584 0.111 0.000 1.195 154 A CA 2.103 54.173 52.037 0.056 0.000 0.622 154 A CB -1.011 18.070 19.000 0.135 0.000 0.831 154 A HN 0.623 nan 8.150 nan 0.000 0.444 155 M N -0.772 118.902 119.600 0.123 0.000 2.213 155 M HA -0.085 4.395 4.480 -0.001 0.000 0.263 155 M C 1.881 178.293 176.300 0.186 0.000 1.062 155 M CA 1.289 56.699 55.300 0.183 0.000 1.105 155 M CB -0.250 32.426 32.600 0.127 0.000 1.385 155 M HN 0.444 nan 8.290 nan 0.000 0.417 156 L N -0.663 120.604 121.223 0.074 0.000 2.109 156 L HA -0.192 4.147 4.340 -0.001 0.000 0.207 156 L C 2.298 179.228 176.870 0.099 0.000 1.086 156 L CA 0.495 55.388 54.840 0.087 0.000 0.760 156 L CB -0.585 41.478 42.059 0.007 0.000 0.910 156 L HN 0.336 nan 8.230 nan 0.000 0.437 157 L N -0.873 120.271 121.223 -0.130 0.000 2.056 157 L HA -0.213 4.127 4.340 -0.001 0.000 0.207 157 L C 2.304 179.238 176.870 0.106 0.000 1.078 157 L CA 1.669 56.278 54.840 -0.385 0.000 0.749 157 L CB -0.592 41.069 42.059 -0.664 0.000 0.901 157 L HN 0.062 nan 8.230 nan 0.000 0.433 158 F N 0.230 120.284 119.950 0.173 0.000 2.102 158 F HA -0.180 4.346 4.527 -0.001 0.000 0.298 158 F C 2.328 178.278 175.800 0.250 0.000 1.105 158 F CA 1.636 59.813 58.000 0.295 0.000 1.239 158 F CB -0.547 38.628 39.000 0.291 0.000 0.991 158 F HN 0.170 nan 8.300 nan 0.000 0.474 159 A N -1.118 121.938 122.820 0.393 0.000 1.929 159 A HA -0.203 4.116 4.320 -0.001 0.000 0.216 159 A C 2.044 179.748 177.584 0.199 0.000 1.176 159 A CA 1.282 53.510 52.037 0.318 0.000 0.628 159 A CB -1.640 17.527 19.000 0.279 0.000 0.816 159 A HN 0.695 nan 8.150 nan 0.000 0.444 160 W N 0.707 122.028 121.300 0.034 0.000 2.378 160 W HA -0.133 4.527 4.660 -0.001 0.000 0.313 160 W C 2.161 178.726 176.519 0.076 0.000 1.197 160 W CA 1.918 59.282 57.345 0.031 0.000 1.304 160 W CB -0.155 29.222 29.460 -0.139 0.000 1.148 160 W HN 0.472 nan 8.180 nan 0.000 0.494 161 E N -0.402 119.891 120.200 0.155 0.000 2.017 161 E HA -0.172 4.178 4.350 -0.001 0.000 0.193 161 E C 2.399 178.885 176.600 -0.189 0.000 0.997 161 E CA 1.825 58.202 56.400 -0.038 0.000 0.804 161 E CB -0.950 28.797 29.700 0.080 0.000 0.757 161 E HN 0.304 nan 8.360 nan 0.000 0.448 162 G N 1.641 110.314 108.800 -0.212 0.000 2.529 162 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.219 162 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.219 162 G C 1.354 176.165 174.900 -0.148 0.000 1.177 162 G CA 0.963 45.912 45.100 -0.252 0.000 0.773 162 G HN 0.595 nan 8.290 nan 0.000 0.573 163 W N 0.870 122.028 121.300 -0.237 0.000 2.358 163 W HA -0.128 4.532 4.660 -0.001 0.000 0.303 163 W C 2.286 178.575 176.519 -0.384 0.000 1.208 163 W CA 1.583 58.756 57.345 -0.286 0.000 1.274 163 W CB -0.341 28.919 29.460 -0.333 0.000 1.138 163 W HN 0.430 nan 8.180 nan 0.000 0.515 164 H N 0.321 119.007 119.070 -0.639 0.000 2.423 164 H HA -0.123 4.433 4.556 -0.001 0.000 0.297 164 H C 2.003 177.023 175.328 -0.512 0.000 1.075 164 H CA 2.197 57.822 56.048 -0.705 0.000 1.342 164 H CB -0.385 28.855 29.762 -0.870 0.000 1.395 164 H HN 0.071 nan 8.280 nan 0.000 0.530 165 N N 0.021 118.540 118.700 -0.301 0.000 2.135 165 N HA -0.039 4.700 4.740 -0.001 0.000 0.186 165 N C 2.008 177.380 175.510 -0.230 0.000 1.027 165 N CA 1.144 54.084 53.050 -0.184 0.000 0.849 165 N CB -0.488 37.920 38.487 -0.131 0.000 1.002 165 N HN 0.365 nan 8.380 nan 0.000 0.425 166 A N 0.526 123.154 122.820 -0.320 0.000 1.933 166 A HA 0.042 4.361 4.320 -0.001 0.000 0.218 166 A C 2.198 179.518 177.584 -0.439 0.000 1.175 166 A CA 2.035 53.877 52.037 -0.325 0.000 0.628 166 A CB -0.589 18.234 19.000 -0.294 0.000 0.814 166 A HN 0.336 nan 8.150 nan 0.000 0.444 167 A N -1.361 121.016 122.820 -0.738 0.000 1.956 167 A HA 0.378 4.697 4.320 -0.001 0.000 0.212 167 A C 2.258 179.622 177.584 -0.367 0.000 1.188 167 A CA 1.366 52.958 52.037 -0.742 0.000 0.675 167 A CB -0.818 17.296 19.000 -1.477 0.000 0.845 167 A HN 0.635 nan 8.150 nan 0.000 0.455 168 G N -0.307 108.301 108.800 -0.319 0.000 2.492 168 G HA2 0.053 4.012 3.960 -0.001 0.000 0.214 168 G HA3 0.053 4.012 3.960 -0.001 0.000 0.214 168 G C 1.469 176.457 174.900 0.146 0.000 1.147 168 G CA 0.663 45.722 45.100 -0.069 0.000 0.809 168 G HN 0.370 nan 8.290 nan 0.000 0.533 169 I N 1.898 122.502 120.570 0.056 0.000 2.099 169 I HA -0.128 4.042 4.170 -0.001 0.000 0.239 169 I C 0.307 176.454 176.117 0.050 0.000 1.066 169 I CA 1.455 62.803 61.300 0.081 0.000 1.324 169 I CB -0.807 37.219 38.000 0.044 0.000 1.037 169 I HN 0.157 nan 8.210 nan 0.000 0.401 170 P HA -0.152 nan 4.420 nan 0.000 0.223 170 P C 1.693 179.018 177.300 0.041 0.000 1.151 170 P CA 1.180 64.285 63.100 0.009 0.000 0.787 170 P CB 0.058 31.747 31.700 -0.019 0.000 0.788 171 L N -0.007 121.270 121.223 0.089 0.000 2.418 171 L HA 0.107 4.447 4.340 -0.001 0.000 0.218 171 L C 2.523 179.495 176.870 0.171 0.000 1.125 171 L CA 1.353 56.285 54.840 0.154 0.000 0.835 171 L CB -1.106 41.071 42.059 0.196 0.000 0.953 171 L HN -0.176 nan 8.230 nan 0.000 0.454 172 K N 0.431 120.869 120.400 0.063 0.000 1.985 172 K HA -0.106 4.213 4.320 -0.001 0.000 0.210 172 K C -0.584 175.959 176.600 -0.095 0.000 1.047 172 K CA 1.700 57.836 56.287 -0.251 0.000 0.932 172 K CB -0.979 31.354 32.500 -0.278 0.000 0.716 172 K HN 0.214 nan 8.250 nan 0.000 0.439 173 P HA -0.200 nan 4.420 nan 0.000 0.217 173 P C 1.371 178.696 177.300 0.041 0.000 1.151 173 P CA 1.601 64.693 63.100 -0.013 0.000 0.849 173 P CB -0.244 31.450 31.700 -0.010 0.000 0.787 174 L N -3.516 117.756 121.223 0.081 0.000 2.179 174 L HA -0.038 4.302 4.340 -0.001 0.000 0.208 174 L C 2.864 179.860 176.870 0.211 0.000 1.096 174 L CA 1.214 56.128 54.840 0.122 0.000 0.779 174 L CB -1.835 40.287 42.059 0.105 0.000 0.922 174 L HN -0.136 nan 8.230 nan 0.000 0.443 175 Y N 1.935 122.317 120.300 0.138 0.000 2.274 175 Y HA -0.201 4.348 4.550 -0.001 0.000 0.290 175 Y C 2.446 178.537 175.900 0.319 0.000 1.145 175 Y CA 1.542 59.802 58.100 0.266 0.000 1.203 175 Y CB -0.103 38.514 38.460 0.261 0.000 0.984 175 Y HN 0.286 nan 8.280 nan 0.000 0.533 176 E N -0.566 119.775 120.200 0.234 0.000 2.072 176 E HA -0.187 4.163 4.350 -0.001 0.000 0.191 176 E C 1.661 178.298 176.600 0.063 0.000 0.985 176 E CA 1.244 57.727 56.400 0.139 0.000 0.801 176 E CB -0.115 29.610 29.700 0.040 0.000 0.750 176 E HN 0.483 nan 8.360 nan 0.000 0.452 177 D N 0.583 121.028 120.400 0.075 0.000 2.117 177 D HA -0.138 4.502 4.640 -0.001 0.000 0.198 177 D C 1.752 178.089 176.300 0.062 0.000 0.982 177 D CA 0.681 54.714 54.000 0.056 0.000 0.828 177 D CB -0.333 40.506 40.800 0.065 0.000 0.967 177 D HN 0.101 nan 8.370 nan 0.000 0.464 178 F N 2.165 122.110 119.950 -0.007 0.000 2.095 178 F HA -0.235 4.292 4.527 -0.001 0.000 0.298 178 F C 2.208 178.029 175.800 0.034 0.000 1.104 178 F CA 1.678 59.682 58.000 0.007 0.000 1.232 178 F CB -0.731 38.221 39.000 -0.080 0.000 0.987 178 F HN -0.160 nan 8.300 nan 0.000 0.475 179 T N 0.991 115.307 114.554 -0.397 0.000 2.684 179 T HA -0.188 4.162 4.350 -0.001 0.000 0.267 179 T C 2.251 176.801 174.700 -0.250 0.000 1.036 179 T CA 1.703 63.581 62.100 -0.370 0.000 1.148 179 T CB -0.996 67.806 68.868 -0.110 0.000 0.863 179 T HN 0.417 nan 8.240 nan 0.000 0.436 180 A N 0.899 123.633 122.820 -0.143 0.000 1.933 180 A HA 0.030 4.349 4.320 -0.001 0.000 0.218 180 A C 2.329 179.827 177.584 -0.144 0.000 1.175 180 A CA 1.162 53.136 52.037 -0.104 0.000 0.628 180 A CB -0.806 18.160 19.000 -0.057 0.000 0.814 180 A HN 0.458 nan 8.150 nan 0.000 0.444 181 L N -1.117 120.011 121.223 -0.159 0.000 2.005 181 L HA -0.134 4.205 4.340 -0.001 0.000 0.207 181 L C 2.884 179.591 176.870 -0.271 0.000 1.072 181 L CA 1.489 56.239 54.840 -0.150 0.000 0.744 181 L CB -0.434 41.624 42.059 -0.001 0.000 0.895 181 L HN 0.450 nan 8.230 nan 0.000 0.433 182 S N -0.182 115.291 115.700 -0.379 0.000 2.420 182 S HA -0.210 4.259 4.470 -0.001 0.000 0.237 182 S C 1.641 176.053 174.600 -0.313 0.000 1.023 182 S CA 1.911 59.865 58.200 -0.409 0.000 0.991 182 S CB -0.258 62.561 63.200 -0.636 0.000 0.792 182 S HN 0.426 nan 8.310 nan 0.000 0.488 183 N N 0.647 119.176 118.700 -0.285 0.000 2.173 183 N HA 0.072 4.812 4.740 -0.001 0.000 0.184 183 N C 2.173 177.592 175.510 -0.150 0.000 1.025 183 N CA 1.506 54.436 53.050 -0.201 0.000 0.852 183 N CB -0.609 37.792 38.487 -0.144 0.000 0.998 183 N HN 0.565 nan 8.380 nan 0.000 0.427 184 E N 1.108 121.212 120.200 -0.160 0.000 2.085 184 E HA -0.124 4.225 4.350 -0.001 0.000 0.194 184 E C 1.968 178.459 176.600 -0.182 0.000 0.994 184 E CA 1.568 57.885 56.400 -0.139 0.000 0.801 184 E CB -1.255 28.367 29.700 -0.131 0.000 0.743 184 E HN 0.445 nan 8.360 nan 0.000 0.453 185 A N -0.071 122.579 122.820 -0.283 0.000 1.848 185 A HA -0.136 4.183 4.320 -0.001 0.000 0.217 185 A C 2.285 179.639 177.584 -0.383 0.000 1.220 185 A CA 1.925 53.709 52.037 -0.423 0.000 0.645 185 A CB -1.142 17.450 19.000 -0.680 0.000 0.842 185 A HN 0.642 nan 8.150 nan 0.000 0.451 186 Y N 0.294 120.446 120.300 -0.247 0.000 2.403 186 Y HA -0.105 4.445 4.550 -0.001 0.000 0.291 186 Y C 2.829 178.712 175.900 -0.029 0.000 1.143 186 Y CA 1.605 59.598 58.100 -0.178 0.000 1.257 186 Y CB -0.294 37.973 38.460 -0.322 0.000 0.984 186 Y HN 0.425 nan 8.280 nan 0.000 0.550 187 K N 0.510 120.940 120.400 0.050 0.000 2.442 187 K HA -0.160 4.159 4.320 -0.001 0.000 0.198 187 K C 1.566 178.177 176.600 0.019 0.000 1.044 187 K CA 1.606 57.917 56.287 0.042 0.000 0.948 187 K CB -0.581 31.911 32.500 -0.013 0.000 0.762 187 K HN 0.548 nan 8.250 nan 0.000 0.472 188 Q N -0.422 119.373 119.800 -0.007 0.000 2.356 188 Q HA 0.015 4.354 4.340 -0.001 0.000 0.205 188 Q C 0.422 176.415 176.000 -0.011 0.000 0.901 188 Q CA 0.310 56.094 55.803 -0.031 0.000 0.938 188 Q CB 0.620 29.314 28.738 -0.074 0.000 1.081 188 Q HN 0.554 nan 8.270 nan 0.000 0.517 189 D N -1.238 119.200 120.400 0.063 0.000 2.349 189 D HA 0.137 4.777 4.640 -0.001 0.000 0.214 189 D C 0.945 177.209 176.300 -0.060 0.000 1.063 189 D CA 0.763 54.822 54.000 0.098 0.000 0.847 189 D CB 0.951 41.945 40.800 0.324 0.000 0.933 189 D HN 0.351 nan 8.370 nan 0.000 0.513 190 G N -0.137 108.613 108.800 -0.083 0.000 2.238 190 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.217 190 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.217 190 G C 0.161 174.894 174.900 -0.277 0.000 0.996 190 G CA -0.541 44.415 45.100 -0.240 0.000 0.632 190 G HN 0.232 nan 8.290 nan 0.000 0.503 191 F N 1.107 121.069 119.950 0.020 0.000 2.370 191 F HA 0.601 5.127 4.527 -0.001 0.000 0.324 191 F C 1.919 177.697 175.800 -0.036 0.000 1.116 191 F CA 0.330 58.324 58.000 -0.011 0.000 1.123 191 F CB 0.716 39.702 39.000 -0.022 0.000 1.238 191 F HN -0.090 nan 8.300 nan 0.000 0.536 192 T N 0.074 114.715 114.554 0.146 0.000 2.746 192 T HA -0.085 4.264 4.350 -0.001 0.000 0.267 192 T C -0.240 174.473 174.700 0.021 0.000 1.039 192 T CA 1.847 63.980 62.100 0.055 0.000 1.142 192 T CB -0.544 68.342 68.868 0.030 0.000 0.866 192 T HN 0.809 nan 8.240 nan 0.000 0.444 193 D N -2.510 117.883 120.400 -0.012 0.000 2.692 193 D HA 0.285 4.924 4.640 -0.001 0.000 0.290 193 D C 0.538 176.655 176.300 -0.304 0.000 1.281 193 D CA -0.592 53.340 54.000 -0.113 0.000 0.804 193 D CB 0.265 41.026 40.800 -0.065 0.000 1.331 193 D HN -0.279 nan 8.370 nan 0.000 0.432 194 T N -0.446 113.756 114.554 -0.587 0.000 2.699 194 T HA -0.082 4.267 4.350 -0.001 0.000 0.268 194 T C 1.916 175.978 174.700 -1.065 0.000 1.036 194 T CA 1.929 63.378 62.100 -1.084 0.000 1.147 194 T CB -0.859 66.794 68.868 -2.025 0.000 0.862 194 T HN 0.633 nan 8.240 nan 0.000 0.446 195 G N 1.323 109.729 108.800 -0.655 0.000 2.513 195 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.219 195 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.219 195 G C 1.834 176.474 174.900 -0.433 0.000 1.160 195 G CA 1.100 46.027 45.100 -0.288 0.000 0.767 195 G HN 0.623 nan 8.290 nan 0.000 0.571 196 A N -0.340 122.269 122.820 -0.351 0.000 1.972 196 A HA -0.029 4.290 4.320 -0.001 0.000 0.219 196 A C 2.202 179.515 177.584 -0.452 0.000 1.169 196 A CA 1.797 53.669 52.037 -0.275 0.000 0.635 196 A CB -0.578 18.401 19.000 -0.034 0.000 0.810 196 A HN 0.557 nan 8.150 nan 0.000 0.446 197 Y N -1.007 118.721 120.300 -0.955 0.000 2.163 197 Y HA -0.196 4.354 4.550 -0.001 0.000 0.288 197 Y C 2.058 177.279 175.900 -1.131 0.000 1.136 197 Y CA 1.603 58.788 58.100 -1.526 0.000 1.147 197 Y CB -0.438 36.930 38.460 -1.820 0.000 0.987 197 Y HN 0.403 nan 8.280 nan 0.000 0.509 198 W N 0.937 121.508 121.300 -1.216 0.000 2.335 198 W HA -0.158 4.501 4.660 -0.001 0.000 0.311 198 W C 2.659 178.683 176.519 -0.825 0.000 1.213 198 W CA 1.889 58.465 57.345 -1.282 0.000 1.274 198 W CB -1.219 28.023 29.460 -0.363 0.000 1.148 198 W HN 0.037 nan 8.180 nan 0.000 0.498 199 R N 0.117 120.468 120.500 -0.249 0.000 2.091 199 R HA -0.144 4.196 4.340 -0.001 0.000 0.238 199 R C 2.545 178.725 176.300 -0.199 0.000 1.136 199 R CA 2.112 58.141 56.100 -0.118 0.000 0.959 199 R CB -1.093 29.067 30.300 -0.232 0.000 0.856 199 R HN 0.176 nan 8.270 nan 0.000 0.437 200 S N -0.282 115.195 115.700 -0.371 0.000 2.571 200 S HA -0.142 4.328 4.470 -0.001 0.000 0.245 200 S C 1.194 175.654 174.600 -0.233 0.000 0.976 200 S CA 0.786 58.846 58.200 -0.232 0.000 0.954 200 S CB -0.472 62.660 63.200 -0.112 0.000 0.756 200 S HN 0.325 nan 8.310 nan 0.000 0.535 201 W N -0.235 120.814 121.300 -0.418 0.000 2.678 201 W HA 0.173 4.833 4.660 -0.001 0.000 0.256 201 W C 0.561 176.568 176.519 -0.855 0.000 1.280 201 W CA 0.087 57.060 57.345 -0.619 0.000 1.345 201 W CB -0.720 28.315 29.460 -0.708 0.000 1.118 201 W HN 0.561 nan 8.180 nan 0.000 0.629 202 Y N -0.121 119.928 120.300 -0.418 0.000 2.458 202 Y HA 0.147 4.696 4.550 -0.001 0.000 0.256 202 Y C 1.733 177.283 175.900 -0.583 0.000 1.159 202 Y CA 0.564 58.216 58.100 -0.747 0.000 1.261 202 Y CB -0.983 37.107 38.460 -0.617 0.000 1.119 202 Y HN 0.015 nan 8.280 nan 0.000 0.524 203 N N 0.805 119.382 118.700 -0.204 0.000 2.650 203 N HA 0.017 4.756 4.740 -0.001 0.000 0.272 203 N C -0.060 175.588 175.510 0.231 0.000 1.058 203 N CA 0.992 54.023 53.050 -0.033 0.000 0.765 203 N CB -1.878 36.522 38.487 -0.145 0.000 0.902 203 N HN 0.692 nan 8.380 nan 0.000 0.551 204 S N -0.396 115.459 115.700 0.258 0.000 2.689 204 S HA 0.774 5.243 4.470 -0.001 0.000 0.274 204 S C -1.383 173.365 174.600 0.245 0.000 1.176 204 S CA -0.595 57.797 58.200 0.321 0.000 1.014 204 S CB 1.395 64.880 63.200 0.476 0.000 1.071 204 S HN 0.180 nan 8.310 nan 0.000 0.478 205 P HA 0.035 nan 4.420 nan 0.000 0.239 205 P C 1.055 178.440 177.300 0.142 0.000 1.184 205 P CA 1.212 64.394 63.100 0.138 0.000 0.760 205 P CB 0.142 31.906 31.700 0.107 0.000 0.884 206 T N -6.913 107.749 114.554 0.180 0.000 3.043 206 T HA 0.130 4.480 4.350 -0.001 0.000 0.272 206 T C 1.210 176.018 174.700 0.180 0.000 0.990 206 T CA -0.359 61.826 62.100 0.142 0.000 0.897 206 T CB -0.900 68.027 68.868 0.098 0.000 1.111 206 T HN -0.164 nan 8.240 nan 0.000 0.529 207 F N 3.225 123.239 119.950 0.107 0.000 2.063 207 F HA -0.209 4.317 4.527 -0.001 0.000 0.297 207 F C 1.988 177.855 175.800 0.112 0.000 1.099 207 F CA 2.029 60.103 58.000 0.122 0.000 1.220 207 F CB -0.391 38.691 39.000 0.136 0.000 0.972 207 F HN 0.236 nan 8.300 nan 0.000 0.487 208 E N -0.597 119.604 120.200 0.002 0.000 2.077 208 E HA -0.217 4.133 4.350 -0.001 0.000 0.193 208 E C 1.915 178.515 176.600 0.000 0.000 0.989 208 E CA 1.347 57.724 56.400 -0.039 0.000 0.800 208 E CB -0.206 29.530 29.700 0.060 0.000 0.746 208 E HN 0.425 nan 8.360 nan 0.000 0.452 209 D N 0.548 120.946 120.400 -0.003 0.000 2.144 209 D HA -0.123 4.516 4.640 -0.001 0.000 0.200 209 D C 1.439 177.567 176.300 -0.287 0.000 0.978 209 D CA 0.816 54.778 54.000 -0.064 0.000 0.833 209 D CB -0.218 40.549 40.800 -0.055 0.000 0.961 209 D HN 0.094 nan 8.370 nan 0.000 0.470 210 D N 0.037 120.305 120.400 -0.220 0.000 2.144 210 D HA -0.095 4.544 4.640 -0.001 0.000 0.199 210 D C 1.968 178.235 176.300 -0.055 0.000 0.984 210 D CA 0.559 54.439 54.000 -0.199 0.000 0.834 210 D CB -0.101 40.686 40.800 -0.023 0.000 0.955 210 D HN 0.253 nan 8.370 nan 0.000 0.465 211 L N 0.315 121.521 121.223 -0.028 0.000 2.554 211 L HA 0.051 4.391 4.340 -0.001 0.000 0.226 211 L C 2.150 179.132 176.870 0.187 0.000 1.137 211 L CA 0.415 55.341 54.840 0.143 0.000 0.863 211 L CB -0.086 42.065 42.059 0.153 0.000 0.985 211 L HN -0.094 nan 8.230 nan 0.000 0.451 212 E N -0.555 119.753 120.200 0.181 0.000 2.021 212 E HA -0.183 4.167 4.350 -0.001 0.000 0.189 212 E C 2.106 178.872 176.600 0.277 0.000 0.980 212 E CA 0.832 57.385 56.400 0.254 0.000 0.803 212 E CB 0.079 29.958 29.700 0.298 0.000 0.766 212 E HN 0.394 nan 8.360 nan 0.000 0.449 213 H N 0.410 119.539 119.070 0.098 0.000 2.289 213 H HA -0.180 4.375 4.556 -0.001 0.000 0.294 213 H C 2.085 177.449 175.328 0.061 0.000 1.095 213 H CA 1.589 57.679 56.048 0.070 0.000 1.256 213 H CB -0.650 29.152 29.762 0.067 0.000 1.359 213 H HN 0.176 nan 8.280 nan 0.000 0.487 214 L N -0.663 120.696 121.223 0.226 0.000 2.191 214 L HA -0.204 4.135 4.340 -0.001 0.000 0.212 214 L C 2.101 179.067 176.870 0.161 0.000 1.103 214 L CA 1.057 56.001 54.840 0.173 0.000 0.769 214 L CB -0.253 41.923 42.059 0.195 0.000 0.908 214 L HN 0.248 nan 8.230 nan 0.000 0.438 215 Y N -0.995 119.313 120.300 0.014 0.000 2.420 215 Y HA -0.124 4.426 4.550 -0.001 0.000 0.292 215 Y C 2.480 178.361 175.900 -0.031 0.000 1.119 215 Y CA 0.728 58.777 58.100 -0.085 0.000 1.229 215 Y CB 0.024 38.151 38.460 -0.555 0.000 1.026 215 Y HN 0.154 nan 8.280 nan 0.000 0.554 216 Q N 0.679 120.437 119.800 -0.069 0.000 2.062 216 Q HA -0.303 4.036 4.340 -0.001 0.000 0.209 216 Q C 2.063 177.970 176.000 -0.156 0.000 0.996 216 Q CA 2.420 58.170 55.803 -0.089 0.000 0.859 216 Q CB -0.509 28.224 28.738 -0.009 0.000 0.920 216 Q HN 0.662 nan 8.270 nan 0.000 0.415 217 Q N -0.278 119.459 119.800 -0.105 0.000 2.084 217 Q HA -0.077 4.262 4.340 -0.001 0.000 0.202 217 Q C 2.186 178.102 176.000 -0.140 0.000 0.978 217 Q CA 0.925 56.673 55.803 -0.093 0.000 0.844 217 Q CB -0.021 28.694 28.738 -0.038 0.000 0.898 217 Q HN 0.311 nan 8.270 nan 0.000 0.426 218 L N 0.317 121.418 121.223 -0.203 0.000 2.509 218 L HA -0.046 4.293 4.340 -0.001 0.000 0.222 218 L C 2.232 178.923 176.870 -0.297 0.000 1.123 218 L CA 0.294 55.014 54.840 -0.201 0.000 0.856 218 L CB -0.092 41.901 42.059 -0.111 0.000 0.985 218 L HN 0.241 nan 8.230 nan 0.000 0.456 219 E N 1.005 120.885 120.200 -0.534 0.000 2.130 219 E HA -0.232 4.118 4.350 -0.001 0.000 0.196 219 E C -0.639 175.887 176.600 -0.124 0.000 0.998 219 E CA 1.390 57.526 56.400 -0.439 0.000 0.806 219 E CB -0.464 28.970 29.700 -0.443 0.000 0.738 219 E HN 0.303 nan 8.360 nan 0.000 0.459 220 P HA -0.181 nan 4.420 nan 0.000 0.215 220 P C 1.377 178.651 177.300 -0.042 0.000 1.157 220 P CA 0.879 63.935 63.100 -0.073 0.000 0.868 220 P CB 0.000 31.654 31.700 -0.078 0.000 0.788 221 L N -1.648 119.546 121.223 -0.049 0.000 1.978 221 L HA -0.245 4.095 4.340 -0.001 0.000 0.218 221 L C 2.389 179.262 176.870 0.004 0.000 1.075 221 L CA 2.248 57.061 54.840 -0.045 0.000 0.767 221 L CB -1.830 40.180 42.059 -0.081 0.000 0.890 221 L HN 0.048 nan 8.230 nan 0.000 0.434 222 Y N 0.472 120.743 120.300 -0.047 0.000 2.070 222 Y HA -0.255 4.295 4.550 -0.001 0.000 0.280 222 Y C 2.664 178.644 175.900 0.132 0.000 1.148 222 Y CA 1.535 59.654 58.100 0.031 0.000 1.125 222 Y CB -0.535 37.984 38.460 0.099 0.000 0.975 222 Y HN 0.056 nan 8.280 nan 0.000 0.492 223 L N 0.119 121.363 121.223 0.034 0.000 2.089 223 L HA -0.330 4.009 4.340 -0.001 0.000 0.213 223 L C 2.225 179.110 176.870 0.026 0.000 1.079 223 L CA 1.666 56.506 54.840 0.000 0.000 0.758 223 L CB -0.727 41.308 42.059 -0.041 0.000 0.891 223 L HN 0.358 nan 8.230 nan 0.000 0.433 224 N N -0.015 118.683 118.700 -0.002 0.000 2.207 224 N HA -0.126 4.613 4.740 -0.001 0.000 0.182 224 N C 1.840 177.387 175.510 0.062 0.000 1.020 224 N CA 0.952 54.009 53.050 0.012 0.000 0.858 224 N CB -0.110 38.358 38.487 -0.032 0.000 0.991 224 N HN 0.178 nan 8.380 nan 0.000 0.427 225 L N 1.394 122.630 121.223 0.022 0.000 2.093 225 L HA -0.120 4.220 4.340 -0.001 0.000 0.208 225 L C 2.317 179.315 176.870 0.214 0.000 1.085 225 L CA 1.691 56.588 54.840 0.096 0.000 0.755 225 L CB -0.881 41.164 42.059 -0.023 0.000 0.904 225 L HN 0.293 nan 8.230 nan 0.000 0.435 226 H N -0.275 118.774 119.070 -0.036 0.000 2.293 226 H HA -0.113 4.442 4.556 -0.001 0.000 0.300 226 H C 1.907 177.329 175.328 0.157 0.000 1.082 226 H CA 1.717 57.825 56.048 0.100 0.000 1.308 226 H CB 0.153 29.834 29.762 -0.135 0.000 1.375 226 H HN 0.438 nan 8.280 nan 0.000 0.495 227 A N 0.669 123.617 122.820 0.214 0.000 1.933 227 A HA -0.160 4.159 4.320 -0.001 0.000 0.218 227 A C 2.387 180.006 177.584 0.057 0.000 1.175 227 A CA 1.232 53.341 52.037 0.120 0.000 0.628 227 A CB -1.179 17.896 19.000 0.126 0.000 0.814 227 A HN 0.490 nan 8.150 nan 0.000 0.444 228 F N 0.837 120.775 119.950 -0.020 0.000 2.095 228 F HA -0.170 4.356 4.527 -0.001 0.000 0.298 228 F C 2.255 178.043 175.800 -0.021 0.000 1.104 228 F CA 2.034 60.016 58.000 -0.031 0.000 1.232 228 F CB -0.371 38.626 39.000 -0.004 0.000 0.987 228 F HN 0.033 nan 8.300 nan 0.000 0.475 229 V N 0.886 120.795 119.914 -0.009 0.000 2.358 229 V HA -0.263 3.856 4.120 -0.001 0.000 0.246 229 V C 2.559 178.517 176.094 -0.226 0.000 1.047 229 V CA 2.093 64.323 62.300 -0.117 0.000 1.035 229 V CB -0.852 31.031 31.823 0.100 0.000 0.658 229 V HN 0.312 nan 8.190 nan 0.000 0.452 230 R N 0.571 120.927 120.500 -0.240 0.000 2.094 230 R HA -0.279 4.060 4.340 -0.001 0.000 0.239 230 R C 2.465 178.674 176.300 -0.152 0.000 1.137 230 R CA 2.330 58.294 56.100 -0.227 0.000 0.943 230 R CB -0.348 29.804 30.300 -0.246 0.000 0.850 230 R HN 0.380 nan 8.270 nan 0.000 0.433 231 R N 0.600 120.989 120.500 -0.185 0.000 2.117 231 R HA -0.104 4.235 4.340 -0.001 0.000 0.243 231 R C 1.884 178.080 176.300 -0.174 0.000 1.143 231 R CA 1.989 57.978 56.100 -0.185 0.000 0.968 231 R CB -0.719 29.442 30.300 -0.230 0.000 0.863 231 R HN 0.395 nan 8.270 nan 0.000 0.444 232 A N 0.318 122.978 122.820 -0.267 0.000 1.873 232 A HA -0.022 4.297 4.320 -0.001 0.000 0.215 232 A C 2.270 179.760 177.584 -0.156 0.000 1.186 232 A CA 1.375 53.262 52.037 -0.249 0.000 0.616 232 A CB -0.523 18.283 19.000 -0.324 0.000 0.823 232 A HN 0.354 nan 8.150 nan 0.000 0.442 233 L N -1.118 120.036 121.223 -0.114 0.000 2.131 233 L HA -0.197 4.143 4.340 -0.001 0.000 0.210 233 L C 2.708 179.601 176.870 0.039 0.000 1.092 233 L CA 1.455 56.286 54.840 -0.015 0.000 0.759 233 L CB -0.695 41.389 42.059 0.041 0.000 0.903 233 L HN 0.606 nan 8.230 nan 0.000 0.435 234 H N 0.769 119.798 119.070 -0.070 0.000 2.353 234 H HA -0.180 4.375 4.556 -0.001 0.000 0.300 234 H C 2.398 177.677 175.328 -0.081 0.000 1.090 234 H CA 1.809 57.819 56.048 -0.062 0.000 1.327 234 H CB 0.221 29.919 29.762 -0.107 0.000 1.383 234 H HN 0.127 nan 8.280 nan 0.000 0.508 235 R N 0.435 120.964 120.500 0.048 0.000 2.103 235 R HA -0.189 4.151 4.340 -0.001 0.000 0.234 235 R C 2.854 179.074 176.300 -0.133 0.000 1.132 235 R CA 2.565 58.651 56.100 -0.024 0.000 0.925 235 R CB -0.308 29.947 30.300 -0.075 0.000 0.842 235 R HN 0.393 nan 8.270 nan 0.000 0.430 236 R N -1.347 119.019 120.500 -0.222 0.000 2.090 236 R HA -0.088 4.252 4.340 -0.001 0.000 0.228 236 R C 1.708 177.772 176.300 -0.392 0.000 1.110 236 R CA 1.787 57.678 56.100 -0.349 0.000 0.973 236 R CB -0.558 29.456 30.300 -0.476 0.000 0.869 236 R HN 0.387 nan 8.270 nan 0.000 0.440 237 Y N 0.158 120.414 120.300 -0.073 0.000 2.510 237 Y HA 0.346 4.895 4.550 -0.001 0.000 0.273 237 Y C 0.971 176.822 175.900 -0.083 0.000 1.119 237 Y CA 0.354 58.436 58.100 -0.029 0.000 1.286 237 Y CB 0.676 39.155 38.460 0.031 0.000 1.061 237 Y HN 0.442 nan 8.280 nan 0.000 0.542 238 G N 0.553 109.276 108.800 -0.129 0.000 2.663 238 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.686 238 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.686 238 G C -0.375 174.258 174.900 -0.444 0.000 1.246 238 G CA -0.239 44.691 45.100 -0.284 0.000 0.795 238 G HN 0.191 nan 8.290 nan 0.000 0.627 239 D N -0.487 119.623 120.400 -0.482 0.000 2.311 239 D HA -0.088 4.551 4.640 -0.001 0.000 0.212 239 D C 2.280 178.439 176.300 -0.236 0.000 0.972 239 D CA 1.627 55.425 54.000 -0.336 0.000 0.887 239 D CB 0.101 40.829 40.800 -0.120 0.000 0.915 239 D HN 0.538 nan 8.370 nan 0.000 0.497 240 R N -1.357 118.949 120.500 -0.324 0.000 2.090 240 R HA -0.082 4.258 4.340 -0.001 0.000 0.228 240 R C 1.448 177.489 176.300 -0.432 0.000 1.110 240 R CA 1.063 56.902 56.100 -0.434 0.000 0.973 240 R CB -0.107 29.765 30.300 -0.713 0.000 0.869 240 R HN 0.324 nan 8.270 nan 0.000 0.440 241 Y N -0.655 119.596 120.300 -0.083 0.000 2.497 241 Y HA 0.260 4.809 4.550 -0.001 0.000 0.265 241 Y C 0.290 176.322 175.900 0.220 0.000 1.111 241 Y CA -0.661 57.414 58.100 -0.041 0.000 1.288 241 Y CB 0.842 39.025 38.460 -0.462 0.000 1.082 241 Y HN -0.073 nan 8.280 nan 0.000 0.536 242 I N 1.032 121.691 120.570 0.148 0.000 2.474 242 I HA 0.176 4.345 4.170 -0.001 0.000 0.294 242 I C -0.740 175.188 176.117 -0.315 0.000 1.005 242 I CA -0.784 60.534 61.300 0.030 0.000 1.113 242 I CB 1.574 39.605 38.000 0.051 0.000 1.289 242 I HN 0.101 nan 8.210 nan 0.000 0.436 243 N N 6.288 124.536 118.700 -0.752 0.000 2.479 243 N HA 0.292 5.031 4.740 -0.001 0.000 0.261 243 N C 0.537 175.808 175.510 -0.399 0.000 0.979 243 N CA -0.386 52.132 53.050 -0.887 0.000 0.930 243 N CB 1.587 38.992 38.487 -1.804 0.000 1.172 243 N HN 0.554 nan 8.380 nan 0.000 0.499 244 L N 2.525 123.601 121.223 -0.244 0.000 2.447 244 L HA -0.042 4.297 4.340 -0.001 0.000 0.225 244 L C 1.543 178.345 176.870 -0.114 0.000 1.148 244 L CA 0.998 55.735 54.840 -0.172 0.000 0.808 244 L CB 0.028 41.948 42.059 -0.233 0.000 0.928 244 L HN 0.412 nan 8.230 nan 0.000 0.448 245 R N -1.259 119.158 120.500 -0.140 0.000 2.509 245 R HA 0.227 4.566 4.340 -0.001 0.000 0.297 245 R C 0.542 176.855 176.300 0.022 0.000 0.951 245 R CA 0.049 56.114 56.100 -0.057 0.000 1.103 245 R CB 1.079 31.325 30.300 -0.090 0.000 1.283 245 R HN 0.209 nan 8.270 nan 0.000 0.534 246 G N 0.375 109.160 108.800 -0.026 0.000 2.820 246 G HA2 0.485 4.445 3.960 -0.001 0.000 0.291 246 G HA3 0.485 4.445 3.960 -0.001 0.000 0.291 246 G C -2.712 172.369 174.900 0.303 0.000 1.323 246 G CA -1.543 43.651 45.100 0.157 0.000 1.055 246 G HN -0.175 nan 8.290 nan 0.000 0.520 247 P HA 0.342 nan 4.420 nan 0.000 0.276 247 P C -0.385 177.031 177.300 0.192 0.000 1.261 247 P CA -0.310 62.864 63.100 0.124 0.000 0.800 247 P CB 1.516 33.126 31.700 -0.150 0.000 1.066 248 I N 1.149 121.768 120.570 0.081 0.000 2.472 248 I HA 0.217 4.386 4.170 -0.001 0.000 0.290 248 I C -2.098 173.985 176.117 -0.057 0.000 1.016 248 I CA -2.747 58.564 61.300 0.019 0.000 1.348 248 I CB 0.805 38.729 38.000 -0.126 0.000 1.417 248 I HN 0.085 nan 8.210 nan 0.000 0.521 249 P HA 0.003 nan 4.420 nan 0.000 0.265 249 P C 0.339 177.463 177.300 -0.294 0.000 1.222 249 P CA 0.072 63.064 63.100 -0.179 0.000 0.767 249 P CB 0.904 32.553 31.700 -0.085 0.000 0.801 250 A N 4.027 126.639 122.820 -0.347 0.000 2.255 250 A HA -0.199 4.121 4.320 -0.001 0.000 0.218 250 A C 1.270 178.610 177.584 -0.407 0.000 1.175 250 A CA 1.466 53.302 52.037 -0.336 0.000 0.682 250 A CB -1.133 17.723 19.000 -0.240 0.000 0.784 250 A HN 0.705 nan 8.150 nan 0.000 0.482 251 H N -2.101 116.543 119.070 -0.709 0.000 2.528 251 H HA 0.426 4.981 4.556 -0.001 0.000 0.282 251 H C 0.756 175.860 175.328 -0.373 0.000 1.097 251 H CA -0.147 55.593 56.048 -0.514 0.000 1.121 251 H CB -0.680 28.723 29.762 -0.598 0.000 1.590 251 H HN 0.435 nan 8.280 nan 0.000 0.553 252 L N 0.296 121.123 121.223 -0.660 0.000 2.638 252 L HA 0.138 4.477 4.340 -0.001 0.000 0.232 252 L C 0.969 177.634 176.870 -0.341 0.000 1.099 252 L CA -0.096 54.414 54.840 -0.549 0.000 0.883 252 L CB 0.360 42.069 42.059 -0.582 0.000 1.136 252 L HN 0.115 nan 8.230 nan 0.000 0.492 253 L N 1.217 122.203 121.223 -0.394 0.000 2.718 253 L HA 0.205 4.545 4.340 -0.001 0.000 0.242 253 L C 1.409 178.177 176.870 -0.170 0.000 1.203 253 L CA 0.748 55.297 54.840 -0.485 0.000 1.011 253 L CB -1.593 39.940 42.059 -0.878 0.000 1.250 253 L HN 0.448 nan 8.230 nan 0.000 0.437 254 G N 0.851 109.598 108.800 -0.088 0.000 2.258 254 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.274 254 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.274 254 G C 0.117 175.058 174.900 0.068 0.000 1.021 254 G CA 0.798 45.905 45.100 0.012 0.000 0.798 254 G HN 0.516 nan 8.290 nan 0.000 0.507 255 D N -1.594 118.844 120.400 0.063 0.000 2.878 255 D HA 0.298 4.937 4.640 -0.001 0.000 0.211 255 D C 1.174 177.501 176.300 0.046 0.000 1.271 255 D CA -0.334 53.734 54.000 0.115 0.000 0.845 255 D CB 0.795 41.746 40.800 0.252 0.000 1.679 255 D HN -0.056 nan 8.370 nan 0.000 0.536 256 M N 3.082 122.591 119.600 -0.152 0.000 2.116 256 M HA -0.116 4.363 4.480 -0.001 0.000 0.255 256 M C 0.905 176.995 176.300 -0.350 0.000 1.075 256 M CA 1.924 56.933 55.300 -0.485 0.000 1.087 256 M CB -0.266 31.450 32.600 -1.474 0.000 1.340 256 M HN 0.582 nan 8.290 nan 0.000 0.402 257 W N -0.770 120.612 121.300 0.135 0.000 3.220 257 W HA 0.554 5.214 4.660 -0.001 0.000 0.328 257 W C 1.056 177.492 176.519 -0.138 0.000 1.205 257 W CA 0.316 57.652 57.345 -0.015 0.000 1.773 257 W CB -0.864 28.429 29.460 -0.279 0.000 1.086 257 W HN 0.476 nan 8.180 nan 0.000 0.622 258 A N 2.050 124.976 122.820 0.177 0.000 2.791 258 A HA -0.308 4.011 4.320 -0.001 0.000 0.292 258 A C 1.304 179.086 177.584 0.330 0.000 1.487 258 A CA 1.817 53.988 52.037 0.224 0.000 0.760 258 A CB -2.080 16.996 19.000 0.125 0.000 1.031 258 A HN 0.618 nan 8.150 nan 0.000 0.503 259 Q N -0.599 119.345 119.800 0.241 0.000 2.281 259 Q HA 0.426 4.765 4.340 -0.001 0.000 0.215 259 Q C 0.490 176.703 176.000 0.355 0.000 0.867 259 Q CA 0.715 56.608 55.803 0.149 0.000 0.940 259 Q CB 0.439 29.168 28.738 -0.014 0.000 1.111 259 Q HN 1.620 nan 8.270 nan 0.000 0.513 260 S N -0.573 115.397 115.700 0.450 0.000 2.603 260 S HA 0.331 4.800 4.470 -0.001 0.000 0.274 260 S C -1.347 173.608 174.600 0.592 0.000 1.168 260 S CA -0.809 57.629 58.200 0.397 0.000 0.963 260 S CB 0.565 63.974 63.200 0.348 0.000 1.078 260 S HN 0.355 nan 8.310 nan 0.000 0.477 261 W N 1.830 123.252 121.300 0.203 0.000 3.239 261 W HA 0.370 5.029 4.660 -0.001 0.000 0.348 261 W C 1.952 178.570 176.519 0.167 0.000 1.183 261 W CA 0.093 57.539 57.345 0.167 0.000 1.819 261 W CB -1.021 28.538 29.460 0.164 0.000 1.091 261 W HN 0.972 nan 8.180 nan 0.000 0.629 262 E N 0.898 121.311 120.200 0.354 0.000 2.267 262 E HA -0.208 4.142 4.350 -0.001 0.000 0.197 262 E C 1.343 178.081 176.600 0.230 0.000 0.998 262 E CA 1.494 58.055 56.400 0.268 0.000 0.830 262 E CB -0.816 28.980 29.700 0.160 0.000 0.751 262 E HN 0.251 nan 8.360 nan 0.000 0.491 263 N N -0.530 118.295 118.700 0.207 0.000 2.501 263 N HA 0.086 4.825 4.740 -0.001 0.000 0.195 263 N C 0.564 176.162 175.510 0.146 0.000 1.213 263 N CA 0.357 53.496 53.050 0.149 0.000 0.864 263 N CB 0.410 38.969 38.487 0.120 0.000 0.999 263 N HN 0.444 nan 8.380 nan 0.000 0.454 264 I N -0.368 120.318 120.570 0.194 0.000 4.026 264 I HA -0.016 4.153 4.170 -0.001 0.000 0.324 264 I C 0.803 177.025 176.117 0.175 0.000 1.474 264 I CA -0.197 61.188 61.300 0.142 0.000 1.107 264 I CB 0.168 38.220 38.000 0.087 0.000 1.345 264 I HN -0.050 nan 8.210 nan 0.000 0.531 265 Y N 2.845 123.200 120.300 0.092 0.000 2.128 265 Y HA -0.306 4.244 4.550 -0.001 0.000 0.284 265 Y C 2.221 178.157 175.900 0.059 0.000 1.154 265 Y CA 2.416 60.572 58.100 0.092 0.000 1.149 265 Y CB 0.053 38.566 38.460 0.087 0.000 0.976 265 Y HN 0.437 nan 8.280 nan 0.000 0.505 266 D N -0.357 120.175 120.400 0.220 0.000 2.411 266 D HA -0.221 4.418 4.640 -0.001 0.000 0.226 266 D C 1.279 177.576 176.300 -0.006 0.000 0.988 266 D CA 1.283 55.345 54.000 0.103 0.000 0.938 266 D CB -0.433 40.428 40.800 0.100 0.000 0.883 266 D HN 0.529 nan 8.370 nan 0.000 0.525 267 M N -0.193 119.383 119.600 -0.039 0.000 2.304 267 M HA 0.058 4.538 4.480 -0.001 0.000 0.281 267 M C 1.610 177.833 176.300 -0.128 0.000 1.014 267 M CA 0.062 55.309 55.300 -0.088 0.000 1.054 267 M CB 1.524 34.067 32.600 -0.096 0.000 1.551 267 M HN 0.033 nan 8.290 nan 0.000 0.548 268 V N -3.967 115.864 119.914 -0.140 0.000 3.539 268 V HA 0.451 4.571 4.120 -0.001 0.000 0.262 268 V C 1.016 177.026 176.094 -0.140 0.000 1.381 268 V CA -0.274 61.947 62.300 -0.130 0.000 1.060 268 V CB -0.909 30.904 31.823 -0.015 0.000 0.842 268 V HN 0.071 nan 8.190 nan 0.000 0.445 269 V N 1.954 121.617 119.914 -0.418 0.000 2.703 269 V HA 0.055 4.175 4.120 -0.001 0.000 0.300 269 V C -0.184 175.760 176.094 -0.250 0.000 1.063 269 V CA 0.740 62.707 62.300 -0.556 0.000 1.240 269 V CB -0.684 30.807 31.823 -0.553 0.000 0.845 269 V HN 0.264 nan 8.190 nan 0.000 0.476 270 P HA -0.134 nan 4.420 nan 0.000 0.213 270 P C 0.133 177.050 177.300 -0.637 0.000 1.176 270 P CA 1.527 64.308 63.100 -0.530 0.000 0.919 270 P CB -0.017 30.950 31.700 -1.221 0.000 0.791 271 F N -2.429 117.491 119.950 -0.050 0.000 2.307 271 F HA 0.330 4.856 4.527 -0.001 0.000 0.369 271 F C -1.633 174.171 175.800 0.007 0.000 1.076 271 F CA -2.280 55.714 58.000 -0.011 0.000 1.149 271 F CB 0.994 39.973 39.000 -0.035 0.000 1.410 271 F HN -0.033 nan 8.300 nan 0.000 0.481 272 P HA -0.172 nan 4.420 nan 0.000 0.218 272 P C 1.234 178.599 177.300 0.108 0.000 1.148 272 P CA 1.227 64.383 63.100 0.095 0.000 0.822 272 P CB 0.309 32.046 31.700 0.061 0.000 0.784 273 D N 0.093 120.566 120.400 0.121 0.000 2.177 273 D HA -0.164 4.475 4.640 -0.001 0.000 0.189 273 D C 1.033 177.380 176.300 0.079 0.000 1.002 273 D CA 1.747 55.799 54.000 0.088 0.000 0.845 273 D CB -0.762 40.086 40.800 0.080 0.000 0.960 273 D HN 0.021 nan 8.370 nan 0.000 0.447 274 K N 0.868 121.325 120.400 0.096 0.000 2.448 274 K HA 0.246 4.566 4.320 -0.001 0.000 0.278 274 K C -2.129 174.527 176.600 0.093 0.000 1.009 274 K CA -0.544 55.791 56.287 0.080 0.000 0.995 274 K CB -0.442 32.111 32.500 0.088 0.000 0.917 274 K HN 0.303 nan 8.250 nan 0.000 0.481 278 D N -0.898 119.441 120.400 -0.102 0.000 2.977 278 D HA 0.490 5.129 4.640 -0.001 0.000 0.220 278 D C 0.034 176.280 176.300 -0.091 0.000 1.267 278 D CA 0.126 54.062 54.000 -0.107 0.000 0.884 278 D CB 2.938 43.667 40.800 -0.118 0.000 1.667 278 D HN 0.149 nan 8.370 nan 0.000 0.536 279 V N 3.367 123.214 119.914 -0.112 0.000 3.546 279 V HA -0.091 4.029 4.120 -0.001 0.000 0.272 279 V C 1.824 177.800 176.094 -0.196 0.000 1.228 279 V CA 1.519 63.728 62.300 -0.152 0.000 1.184 279 V CB -0.450 31.257 31.823 -0.194 0.000 0.886 279 V HN 0.596 nan 8.190 nan 0.000 0.508 280 T N 0.265 114.733 114.554 -0.145 0.000 2.755 280 T HA -0.113 4.236 4.350 -0.001 0.000 0.251 280 T C 2.008 176.650 174.700 -0.096 0.000 1.044 280 T CA 1.631 63.651 62.100 -0.133 0.000 1.154 280 T CB -0.151 68.668 68.868 -0.082 0.000 0.866 280 T HN 0.716 nan 8.240 nan 0.000 0.416 281 S N 0.909 116.576 115.700 -0.056 0.000 2.484 281 S HA -0.125 4.344 4.470 -0.001 0.000 0.250 281 S C 1.721 176.299 174.600 -0.036 0.000 0.995 281 S CA 1.264 59.446 58.200 -0.029 0.000 0.967 281 S CB -0.611 62.580 63.200 -0.014 0.000 0.752 281 S HN 0.411 nan 8.310 nan 0.000 0.517 282 T N 0.785 115.294 114.554 -0.076 0.000 2.990 282 T HA 0.362 4.711 4.350 -0.001 0.000 0.250 282 T C 1.497 176.098 174.700 -0.164 0.000 1.041 282 T CA 0.029 62.076 62.100 -0.088 0.000 1.010 282 T CB -0.074 68.742 68.868 -0.086 0.000 1.003 282 T HN 0.333 nan 8.240 nan 0.000 0.499 283 M N 0.967 120.417 119.600 -0.251 0.000 2.171 283 M HA 0.096 4.575 4.480 -0.001 0.000 0.260 283 M C 2.916 179.178 176.300 -0.063 0.000 1.087 283 M CA 1.215 56.253 55.300 -0.437 0.000 1.154 283 M CB -0.833 31.479 32.600 -0.480 0.000 1.331 283 M HN 0.271 nan 8.290 nan 0.000 0.431 284 L N 0.026 121.246 121.223 -0.005 0.000 2.129 284 L HA -0.211 4.128 4.340 -0.001 0.000 0.212 284 L C 2.340 179.260 176.870 0.084 0.000 1.087 284 L CA 2.814 57.696 54.840 0.069 0.000 0.757 284 L CB -2.700 39.383 42.059 0.041 0.000 0.896 284 L HN 0.610 nan 8.230 nan 0.000 0.434 285 Q N -0.582 119.251 119.800 0.055 0.000 2.444 285 Q HA 0.078 4.417 4.340 -0.001 0.000 0.206 285 Q C 1.761 177.821 176.000 0.100 0.000 0.948 285 Q CA 0.771 56.613 55.803 0.065 0.000 0.946 285 Q CB -0.324 28.436 28.738 0.038 0.000 1.027 285 Q HN 1.011 nan 8.270 nan 0.000 0.513 286 Q N -0.923 118.975 119.800 0.163 0.000 2.155 286 Q HA 0.422 4.761 4.340 -0.001 0.000 0.273 286 Q C 0.493 176.664 176.000 0.285 0.000 0.857 286 Q CA -0.080 55.853 55.803 0.217 0.000 1.116 286 Q CB -0.269 28.612 28.738 0.239 0.000 1.209 286 Q HN 0.694 nan 8.270 nan 0.000 0.460 287 G N 1.638 110.575 108.800 0.228 0.000 2.359 287 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.298 287 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.298 287 G C -0.755 174.272 174.900 0.211 0.000 1.030 287 G CA 0.035 45.245 45.100 0.183 0.000 1.149 287 G HN 0.457 nan 8.290 nan 0.000 0.512 288 W N 0.422 121.756 121.300 0.057 0.000 2.272 288 W HA 0.498 5.157 4.660 -0.001 0.000 0.318 288 W C 0.713 177.283 176.519 0.085 0.000 1.255 288 W CA -0.599 56.788 57.345 0.070 0.000 1.200 288 W CB 0.751 30.249 29.460 0.063 0.000 1.170 288 W HN 0.247 nan 8.180 nan 0.000 0.549 289 N N 1.927 120.680 118.700 0.088 0.000 2.400 289 N HA 0.321 5.060 4.740 -0.001 0.000 0.288 289 N C 0.743 176.362 175.510 0.183 0.000 1.024 289 N CA 0.030 53.144 53.050 0.106 0.000 0.894 289 N CB 1.771 40.275 38.487 0.029 0.000 1.173 289 N HN 0.557 nan 8.380 nan 0.000 0.487 290 A N 2.492 125.435 122.820 0.206 0.000 1.997 290 A HA -0.191 4.129 4.320 -0.001 0.000 0.221 290 A C 1.743 179.552 177.584 0.375 0.000 1.172 290 A CA 2.074 54.276 52.037 0.275 0.000 0.645 290 A CB -0.552 18.575 19.000 0.212 0.000 0.813 290 A HN 0.765 nan 8.150 nan 0.000 0.454 291 T N -1.929 112.791 114.554 0.277 0.000 3.009 291 T HA 0.124 4.473 4.350 -0.001 0.000 0.258 291 T C 2.006 176.935 174.700 0.381 0.000 1.063 291 T CA 1.604 63.914 62.100 0.350 0.000 1.139 291 T CB -0.741 68.319 68.868 0.320 0.000 0.890 291 T HN 0.870 nan 8.240 nan 0.000 0.471 292 H N 1.284 120.452 119.070 0.164 0.000 2.387 292 H HA 0.167 4.722 4.556 -0.001 0.000 0.299 292 H C 2.301 177.609 175.328 -0.033 0.000 1.090 292 H CA 1.818 57.845 56.048 -0.035 0.000 1.332 292 H CB -0.873 28.694 29.762 -0.326 0.000 1.386 292 H HN 0.363 nan 8.280 nan 0.000 0.516 293 M N -0.728 118.930 119.600 0.097 0.000 2.065 293 M HA -0.046 4.434 4.480 -0.001 0.000 0.259 293 M C 2.160 178.537 176.300 0.129 0.000 1.069 293 M CA 1.901 57.305 55.300 0.174 0.000 1.110 293 M CB -0.321 32.407 32.600 0.214 0.000 1.328 293 M HN 0.525 nan 8.290 nan 0.000 0.405 294 F N 0.126 120.180 119.950 0.174 0.000 2.333 294 F HA -0.156 4.370 4.527 -0.001 0.000 0.300 294 F C 2.936 178.896 175.800 0.266 0.000 1.083 294 F CA 1.585 59.691 58.000 0.177 0.000 1.395 294 F CB -0.783 38.298 39.000 0.135 0.000 1.056 294 F HN 0.155 nan 8.300 nan 0.000 0.529 295 R N -0.306 120.475 120.500 0.468 0.000 2.276 295 R HA 0.197 4.536 4.340 -0.001 0.000 0.196 295 R C 1.877 178.289 176.300 0.186 0.000 0.961 295 R CA 1.110 57.417 56.100 0.345 0.000 1.024 295 R CB -1.577 28.856 30.300 0.222 0.000 0.940 295 R HN 0.254 nan 8.270 nan 0.000 0.480 296 V N 0.133 120.141 119.914 0.156 0.000 2.535 296 V HA 0.024 4.143 4.120 -0.001 0.000 0.246 296 V C 2.934 179.153 176.094 0.208 0.000 1.045 296 V CA 1.420 63.829 62.300 0.180 0.000 1.058 296 V CB -0.065 31.907 31.823 0.249 0.000 0.689 296 V HN 0.632 nan 8.190 nan 0.000 0.461 297 A N 0.389 123.252 122.820 0.071 0.000 1.972 297 A HA -0.258 4.062 4.320 -0.001 0.000 0.219 297 A C 2.180 179.898 177.584 0.223 0.000 1.169 297 A CA 2.008 53.958 52.037 -0.145 0.000 0.635 297 A CB -0.426 18.319 19.000 -0.425 0.000 0.810 297 A HN 0.677 nan 8.150 nan 0.000 0.446 298 E N 0.088 120.415 120.200 0.211 0.000 2.051 298 E HA -0.184 4.165 4.350 -0.001 0.000 0.192 298 E C 2.003 178.766 176.600 0.271 0.000 0.991 298 E CA 2.209 58.741 56.400 0.220 0.000 0.799 298 E CB -0.410 29.408 29.700 0.197 0.000 0.748 298 E HN 0.563 nan 8.360 nan 0.000 0.449 299 E N 0.642 120.990 120.200 0.248 0.000 2.049 299 E HA -0.253 4.096 4.350 -0.001 0.000 0.198 299 E C 1.819 178.620 176.600 0.335 0.000 1.007 299 E CA 1.587 58.135 56.400 0.248 0.000 0.809 299 E CB -1.397 28.444 29.700 0.235 0.000 0.749 299 E HN 0.510 nan 8.360 nan 0.000 0.450 300 F N -0.499 119.592 119.950 0.234 0.000 2.095 300 F HA -0.057 4.469 4.527 -0.001 0.000 0.298 300 F C 2.252 178.119 175.800 0.111 0.000 1.104 300 F CA 2.010 60.129 58.000 0.200 0.000 1.232 300 F CB -0.184 38.837 39.000 0.035 0.000 0.987 300 F HN 0.235 nan 8.300 nan 0.000 0.475 301 F N 0.384 120.533 119.950 0.332 0.000 2.126 301 F HA -0.265 4.261 4.527 -0.001 0.000 0.299 301 F C 2.775 178.621 175.800 0.078 0.000 1.096 301 F CA 2.013 60.115 58.000 0.171 0.000 1.255 301 F CB -1.099 37.935 39.000 0.057 0.000 0.997 301 F HN 0.035 nan 8.300 nan 0.000 0.479 302 T N -3.464 111.243 114.554 0.255 0.000 2.777 302 T HA -0.160 4.189 4.350 -0.001 0.000 0.266 302 T C 2.031 176.756 174.700 0.042 0.000 1.040 302 T CA 1.369 63.540 62.100 0.118 0.000 1.141 302 T CB -0.893 68.026 68.868 0.085 0.000 0.868 302 T HN 0.132 nan 8.240 nan 0.000 0.444 303 S N 1.969 117.681 115.700 0.019 0.000 2.462 303 S HA 0.057 4.527 4.470 -0.001 0.000 0.243 303 S C 1.702 176.222 174.600 -0.134 0.000 1.003 303 S CA 0.910 59.041 58.200 -0.115 0.000 0.970 303 S CB -0.556 62.502 63.200 -0.236 0.000 0.762 303 S HN 0.515 nan 8.310 nan 0.000 0.510 304 L N 0.146 121.330 121.223 -0.066 0.000 2.607 304 L HA 0.291 4.631 4.340 -0.001 0.000 0.228 304 L C 0.522 177.370 176.870 -0.037 0.000 1.123 304 L CA 0.329 55.130 54.840 -0.063 0.000 0.890 304 L CB -0.544 41.492 42.059 -0.037 0.000 1.103 304 L HN 0.238 nan 8.230 nan 0.000 0.468 305 E N -0.577 119.612 120.200 -0.018 0.000 3.303 305 E HA -0.231 4.118 4.350 -0.001 0.000 0.302 305 E C 0.479 177.074 176.600 -0.008 0.000 0.902 305 E CA 0.602 56.993 56.400 -0.016 0.000 1.042 305 E CB -1.550 28.130 29.700 -0.035 0.000 1.528 305 E HN 0.427 nan 8.360 nan 0.000 0.424 306 L N -1.019 120.207 121.223 0.006 0.000 3.333 306 L HA 0.685 5.024 4.340 -0.001 0.000 0.299 306 L C 0.281 177.147 176.870 -0.007 0.000 1.256 306 L CA 0.745 55.581 54.840 -0.006 0.000 1.037 306 L CB 1.260 43.308 42.059 -0.018 0.000 1.423 306 L HN 0.115 nan 8.230 nan 0.000 0.605 307 S N -0.992 114.708 115.700 -0.000 0.000 2.701 307 S HA 0.783 5.252 4.470 -0.001 0.000 0.267 307 S C -3.463 171.124 174.600 -0.021 0.000 1.034 307 S CA 0.465 58.652 58.200 -0.023 0.000 0.867 307 S CB 1.842 65.006 63.200 -0.059 0.000 1.123 307 S HN 0.525 nan 8.310 nan 0.000 0.470 308 P HA 0.483 nan 4.420 nan 0.000 0.295 308 P C -1.815 175.413 177.300 -0.119 0.000 1.063 308 P CA -0.724 62.333 63.100 -0.072 0.000 1.249 308 P CB 0.904 32.594 31.700 -0.016 0.000 1.599 309 M N 0.393 119.926 119.600 -0.112 0.000 2.201 309 M HA 0.313 4.792 4.480 -0.001 0.000 0.345 309 M C -2.240 174.130 176.300 0.117 0.000 1.352 309 M CA -1.661 53.537 55.300 -0.170 0.000 1.218 309 M CB -0.746 31.580 32.600 -0.457 0.000 1.512 309 M HN 0.084 nan 8.290 nan 0.000 0.447 310 P HA -0.067 nan 4.420 nan 0.000 0.267 310 P C -1.899 175.629 177.300 0.381 0.000 1.175 310 P CA -0.410 62.834 63.100 0.240 0.000 0.763 310 P CB -0.079 31.792 31.700 0.286 0.000 0.795 311 P HA -0.123 nan 4.420 nan 0.000 0.226 311 P C 1.453 178.914 177.300 0.268 0.000 1.153 311 P CA 1.581 64.863 63.100 0.303 0.000 0.777 311 P CB -0.302 31.492 31.700 0.157 0.000 0.794 312 E N 0.077 120.405 120.200 0.213 0.000 2.049 312 E HA -0.273 4.076 4.350 -0.001 0.000 0.198 312 E C 1.729 178.400 176.600 0.119 0.000 1.007 312 E CA 1.685 58.152 56.400 0.111 0.000 0.809 312 E CB -2.010 27.751 29.700 0.101 0.000 0.749 312 E HN 0.341 nan 8.360 nan 0.000 0.450 313 F N -0.736 119.264 119.950 0.083 0.000 2.154 313 F HA -0.131 4.396 4.527 -0.001 0.000 0.301 313 F C 2.082 177.780 175.800 -0.170 0.000 1.087 313 F CA 2.007 60.002 58.000 -0.008 0.000 1.274 313 F CB -0.256 38.769 39.000 0.041 0.000 1.009 313 F HN 0.330 nan 8.300 nan 0.000 0.485 314 W N 0.481 121.928 121.300 0.244 0.000 2.699 314 W HA 0.079 4.738 4.660 -0.001 0.000 0.249 314 W C 2.358 178.851 176.519 -0.044 0.000 1.280 314 W CA 1.789 59.211 57.345 0.129 0.000 1.345 314 W CB -0.507 29.065 29.460 0.188 0.000 1.128 314 W HN 0.238 nan 8.180 nan 0.000 0.642 315 E N -1.654 118.557 120.200 0.017 0.000 2.489 315 E HA 0.210 4.560 4.350 -0.001 0.000 0.208 315 E C 1.672 178.196 176.600 -0.127 0.000 0.814 315 E CA 0.384 56.766 56.400 -0.029 0.000 1.348 315 E CB -0.786 28.934 29.700 0.034 0.000 1.334 315 E HN 0.039 nan 8.360 nan 0.000 0.672 316 G N 0.352 109.040 108.800 -0.186 0.000 3.262 316 G HA2 0.437 4.397 3.960 -0.001 0.000 0.222 316 G HA3 0.437 4.397 3.960 -0.001 0.000 0.222 316 G C 0.533 175.189 174.900 -0.408 0.000 1.269 316 G CA 1.119 46.031 45.100 -0.314 0.000 1.032 316 G HN 1.028 nan 8.290 nan 0.000 0.502 317 S N -0.192 115.330 115.700 -0.298 0.000 2.546 317 S HA 0.695 5.164 4.470 -0.001 0.000 0.272 317 S C -0.488 174.060 174.600 -0.087 0.000 1.140 317 S CA -0.674 57.379 58.200 -0.246 0.000 0.920 317 S CB 1.288 64.029 63.200 -0.764 0.000 1.083 317 S HN 0.051 nan 8.310 nan 0.000 0.476 318 M N 4.306 123.992 119.600 0.143 0.000 2.077 318 M HA 0.393 4.873 4.480 -0.001 0.000 0.348 318 M C -0.582 175.656 176.300 -0.104 0.000 1.252 318 M CA -0.360 54.967 55.300 0.045 0.000 1.096 318 M CB 0.085 32.736 32.600 0.084 0.000 1.568 318 M HN 0.778 nan 8.290 nan 0.000 0.456 319 L N 2.655 123.760 121.223 -0.197 0.000 2.858 319 L HA 0.367 4.706 4.340 -0.001 0.000 0.251 319 L C -0.024 176.821 176.870 -0.041 0.000 1.149 319 L CA 0.126 54.790 54.840 -0.294 0.000 0.955 319 L CB 0.387 42.056 42.059 -0.650 0.000 1.289 319 L HN 0.637 nan 8.230 nan 0.000 0.542 320 E N 0.255 120.451 120.200 -0.007 0.000 2.416 320 E HA 0.300 4.649 4.350 -0.001 0.000 0.273 320 E C -1.016 175.606 176.600 0.036 0.000 0.935 320 E CA -0.854 55.572 56.400 0.043 0.000 0.784 320 E CB 2.656 32.383 29.700 0.044 0.000 1.301 320 E HN -0.099 nan 8.360 nan 0.000 0.454 321 K N 2.285 122.713 120.400 0.046 0.000 2.312 321 K HA 0.254 4.573 4.320 -0.001 0.000 0.287 321 K C -2.385 174.233 176.600 0.030 0.000 1.062 321 K CA -1.515 54.793 56.287 0.036 0.000 0.934 321 K CB 0.401 32.926 32.500 0.042 0.000 1.027 321 K HN 0.113 nan 8.250 nan 0.000 0.478 322 P HA -0.111 nan 4.420 nan 0.000 0.261 322 P C -0.398 176.918 177.300 0.026 0.000 1.173 322 P CA 0.133 63.245 63.100 0.021 0.000 0.760 322 P CB 1.072 32.779 31.700 0.011 0.000 0.783 323 A N 4.067 126.905 122.820 0.029 0.000 1.854 323 A HA -0.171 4.148 4.320 -0.001 0.000 0.214 323 A C 1.766 179.368 177.584 0.029 0.000 1.192 323 A CA 1.834 53.889 52.037 0.031 0.000 0.611 323 A CB -1.238 17.782 19.000 0.033 0.000 0.832 323 A HN 0.649 nan 8.150 nan 0.000 0.442 324 D N -2.115 118.301 120.400 0.027 0.000 2.149 324 D HA 0.194 4.833 4.640 -0.001 0.000 0.198 324 D C 1.250 177.564 176.300 0.024 0.000 0.990 324 D CA 1.728 55.743 54.000 0.025 0.000 0.839 324 D CB -0.281 40.533 40.800 0.023 0.000 0.948 324 D HN 0.843 nan 8.370 nan 0.000 0.460 325 G N -0.613 108.201 108.800 0.023 0.000 2.370 325 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.174 325 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.174 325 G C -0.314 174.596 174.900 0.017 0.000 1.002 325 G CA -0.354 44.760 45.100 0.022 0.000 0.730 325 G HN 0.425 nan 8.290 nan 0.000 0.497 326 R N 1.526 122.033 120.500 0.011 0.000 2.309 326 R HA 0.514 4.854 4.340 -0.001 0.000 0.331 326 R C 0.178 176.474 176.300 -0.008 0.000 1.116 326 R CA -0.416 55.685 56.100 0.002 0.000 0.970 326 R CB 0.524 30.822 30.300 -0.002 0.000 1.024 326 R HN 0.366 nan 8.270 nan 0.000 0.472 327 E N 2.144 122.343 120.200 -0.002 0.000 2.900 327 E HA -0.067 4.283 4.350 -0.001 0.000 0.259 327 E C -0.058 176.521 176.600 -0.036 0.000 0.918 327 E CA 0.631 57.028 56.400 -0.005 0.000 0.960 327 E CB 0.447 30.149 29.700 0.004 0.000 0.908 327 E HN 0.508 nan 8.360 nan 0.000 0.511 328 V N 0.233 120.129 119.914 -0.030 0.000 3.181 328 V HA 0.464 4.584 4.120 -0.001 0.000 0.308 328 V C -0.458 175.629 176.094 -0.011 0.000 1.214 328 V CA -1.201 61.060 62.300 -0.064 0.000 1.053 328 V CB 1.926 33.709 31.823 -0.068 0.000 1.069 328 V HN 0.264 nan 8.190 nan 0.000 0.441 329 V N 1.342 121.247 119.914 -0.015 0.000 2.370 329 V HA 0.083 4.202 4.120 -0.001 0.000 0.257 329 V C 1.247 177.413 176.094 0.120 0.000 1.064 329 V CA 0.238 62.609 62.300 0.118 0.000 0.975 329 V CB 0.038 31.956 31.823 0.159 0.000 1.067 329 V HN 1.127 nan 8.190 nan 0.000 0.485 330 c N 3.837 122.519 118.600 0.137 0.000 2.456 330 c HA -0.039 4.530 4.570 -0.001 0.000 0.279 330 c C 1.499 175.641 174.090 0.087 0.000 1.427 330 c CA -0.051 56.336 56.329 0.097 0.000 1.778 330 c CB -1.319 41.242 42.510 0.086 0.000 1.842 330 c HN 0.804 nan 8.230 nan 0.000 0.531 331 H N 0.987 120.051 119.070 -0.010 0.000 3.034 331 H HA 0.214 4.770 4.556 -0.001 0.000 0.324 331 H C 0.523 175.772 175.328 -0.132 0.000 1.015 331 H CA 0.590 56.508 56.048 -0.216 0.000 1.429 331 H CB 0.610 29.868 29.762 -0.840 0.000 1.429 331 H HN 0.401 nan 8.280 nan 0.000 0.585 332 A N 3.793 126.388 122.820 -0.375 0.000 2.520 332 A HA 0.434 4.754 4.320 -0.001 0.000 0.245 332 A C 0.281 177.815 177.584 -0.083 0.000 1.072 332 A CA 0.742 52.696 52.037 -0.140 0.000 0.761 332 A CB -0.268 18.672 19.000 -0.099 0.000 1.004 332 A HN 0.913 nan 8.150 nan 0.000 0.499 333 S N 0.150 115.846 115.700 -0.008 0.000 2.556 333 S HA 0.825 5.295 4.470 -0.001 0.000 0.271 333 S C -0.405 174.020 174.600 -0.293 0.000 1.135 333 S CA -0.131 57.979 58.200 -0.149 0.000 0.858 333 S CB 1.331 64.507 63.200 -0.041 0.000 1.114 333 S HN 2.202 nan 8.310 nan 0.000 0.468 334 A N 0.969 123.430 122.820 -0.597 0.000 2.318 334 A HA 0.746 5.065 4.320 -0.001 0.000 0.317 334 A C -1.436 175.714 177.584 -0.723 0.000 1.159 334 A CA -0.444 51.380 52.037 -0.354 0.000 0.799 334 A CB 0.251 19.203 19.000 -0.079 0.000 1.194 334 A HN 0.742 nan 8.150 nan 0.000 0.479 335 W N 1.486 123.025 121.300 0.398 0.000 2.376 335 W HA 0.462 5.121 4.660 -0.001 0.000 0.312 335 W C -0.458 176.088 176.519 0.045 0.000 1.060 335 W CA -0.230 57.232 57.345 0.195 0.000 1.221 335 W CB 1.754 31.357 29.460 0.239 0.000 1.281 335 W HN 0.713 nan 8.180 nan 0.000 0.456 336 D N 3.170 123.604 120.400 0.055 0.000 2.477 336 D HA 0.191 4.830 4.640 -0.001 0.000 0.239 336 D C 0.068 176.361 176.300 -0.011 0.000 1.102 336 D CA -0.615 53.220 54.000 -0.275 0.000 0.901 336 D CB 0.255 40.391 40.800 -1.107 0.000 1.026 336 D HN 0.179 nan 8.370 nan 0.000 0.515 337 F N 2.337 122.249 119.950 -0.063 0.000 2.788 337 F HA 0.031 4.557 4.527 -0.001 0.000 0.300 337 F C 0.520 176.429 175.800 0.182 0.000 1.229 337 F CA 0.150 58.156 58.000 0.009 0.000 1.446 337 F CB -0.887 38.084 39.000 -0.049 0.000 1.118 337 F HN 0.405 nan 8.300 nan 0.000 0.579 338 Y N 0.368 120.677 120.300 0.016 0.000 3.396 338 Y HA -0.334 4.215 4.550 -0.001 0.000 0.214 338 Y C 1.184 177.102 175.900 0.031 0.000 1.203 338 Y CA 0.532 58.631 58.100 -0.002 0.000 1.401 338 Y CB -2.001 36.447 38.460 -0.021 0.000 1.409 338 Y HN 0.419 nan 8.280 nan 0.000 0.594 339 N N -0.567 118.180 118.700 0.078 0.000 2.184 339 N HA 0.130 4.870 4.740 -0.001 0.000 0.234 339 N C 0.457 175.915 175.510 -0.087 0.000 1.282 339 N CA 0.295 53.338 53.050 -0.011 0.000 0.877 339 N CB 0.224 38.660 38.487 -0.085 0.000 1.184 339 N HN 0.454 nan 8.380 nan 0.000 0.510 340 R N -1.582 118.863 120.500 -0.091 0.000 3.932 340 R HA -0.242 4.097 4.340 -0.001 0.000 0.318 340 R C 0.768 177.079 176.300 0.018 0.000 1.219 340 R CA 1.827 57.947 56.100 0.033 0.000 0.889 340 R CB -2.664 27.679 30.300 0.072 0.000 1.309 340 R HN 0.521 nan 8.270 nan 0.000 0.537 341 K N -0.089 120.176 120.400 -0.224 0.000 2.589 341 K HA 0.139 4.458 4.320 -0.001 0.000 0.218 341 K C -0.245 176.191 176.600 -0.273 0.000 1.468 341 K CA 0.485 56.699 56.287 -0.122 0.000 1.002 341 K CB 0.805 33.245 32.500 -0.101 0.000 1.200 341 K HN 0.177 nan 8.250 nan 0.000 0.614 342 D N -0.054 119.967 120.400 -0.630 0.000 2.549 342 D HA 0.616 5.256 4.640 -0.001 0.000 0.251 342 D C -1.625 174.282 176.300 -0.656 0.000 1.153 342 D CA -0.398 53.269 54.000 -0.554 0.000 0.861 342 D CB 1.092 41.534 40.800 -0.596 0.000 1.207 342 D HN 0.186 nan 8.370 nan 0.000 0.543 343 F N 0.858 120.919 119.950 0.184 0.000 2.573 343 F HA 0.653 5.180 4.527 -0.001 0.000 0.316 343 F C 0.769 176.767 175.800 0.330 0.000 1.148 343 F CA -0.885 57.325 58.000 0.350 0.000 0.940 343 F CB 1.208 40.426 39.000 0.364 0.000 1.214 343 F HN 0.269 nan 8.300 nan 0.000 0.448 344 R N 0.770 121.587 120.500 0.528 0.000 2.885 344 R HA 1.021 5.360 4.340 -0.001 0.000 0.260 344 R C -1.755 174.783 176.300 0.397 0.000 1.107 344 R CA -0.292 55.942 56.100 0.224 0.000 0.978 344 R CB 0.892 31.142 30.300 -0.084 0.000 1.227 344 R HN 1.441 nan 8.270 nan 0.000 0.473 345 I N 0.585 121.281 120.570 0.210 0.000 2.534 345 I HA 0.764 4.934 4.170 -0.001 0.000 0.288 345 I C -0.234 176.048 176.117 0.275 0.000 1.077 345 I CA -1.226 60.236 61.300 0.269 0.000 1.051 345 I CB 1.779 39.935 38.000 0.259 0.000 1.234 345 I HN 0.756 nan 8.210 nan 0.000 0.425 346 K N 4.557 125.155 120.400 0.330 0.000 2.253 346 K HA 0.705 5.024 4.320 -0.001 0.000 0.277 346 K C -0.705 175.969 176.600 0.123 0.000 1.053 346 K CA -0.318 56.082 56.287 0.188 0.000 0.892 346 K CB 0.744 33.332 32.500 0.147 0.000 1.102 346 K HN 0.895 nan 8.250 nan 0.000 0.469 347 Q N 4.501 124.360 119.800 0.097 0.000 2.443 347 Q HA 0.114 4.454 4.340 -0.001 0.000 0.241 347 Q C -1.378 174.691 176.000 0.116 0.000 0.880 347 Q CA -0.596 55.278 55.803 0.118 0.000 0.974 347 Q CB 0.981 29.854 28.738 0.225 0.000 1.482 347 Q HN 0.785 nan 8.270 nan 0.000 0.448 348 c N 3.475 122.123 118.600 0.080 0.000 3.684 348 c HA 0.125 4.694 4.570 -0.001 0.000 0.584 348 c C 0.787 174.940 174.090 0.105 0.000 1.130 348 c CA -0.024 56.352 56.329 0.078 0.000 1.194 348 c CB -2.179 40.366 42.510 0.057 0.000 1.457 348 c HN 0.543 nan 8.230 nan 0.000 0.647 349 T N 2.269 116.922 114.554 0.166 0.000 2.849 349 T HA 0.342 4.692 4.350 -0.001 0.000 0.289 349 T C 0.823 175.615 174.700 0.153 0.000 1.010 349 T CA 0.946 63.163 62.100 0.195 0.000 1.161 349 T CB 0.279 69.367 68.868 0.367 0.000 0.989 349 T HN 0.899 nan 8.240 nan 0.000 0.523 350 R N 2.085 122.655 120.500 0.117 0.000 3.066 350 R HA 0.797 5.136 4.340 -0.001 0.000 0.143 350 R C -0.378 175.995 176.300 0.123 0.000 1.187 350 R CA -0.347 55.822 56.100 0.116 0.000 0.722 350 R CB 0.165 30.514 30.300 0.082 0.000 1.366 350 R HN 0.475 nan 8.270 nan 0.000 0.421 351 V N 2.101 122.077 119.914 0.103 0.000 2.239 351 V HA 0.563 4.682 4.120 -0.001 0.000 0.267 351 V C -0.899 175.229 176.094 0.057 0.000 1.056 351 V CA -0.317 62.047 62.300 0.107 0.000 0.830 351 V CB 0.198 32.097 31.823 0.126 0.000 1.090 351 V HN 0.849 nan 8.190 nan 0.000 0.459 352 T N 1.544 116.122 114.554 0.041 0.000 2.868 352 T HA 0.539 4.888 4.350 -0.001 0.000 0.306 352 T C 1.030 175.720 174.700 -0.016 0.000 1.224 352 T CA 0.147 62.251 62.100 0.006 0.000 1.012 352 T CB 1.948 70.826 68.868 0.016 0.000 1.221 352 T HN 0.366 nan 8.240 nan 0.000 0.499 353 M N 0.703 120.276 119.600 -0.045 0.000 2.132 353 M HA 0.142 4.621 4.480 -0.001 0.000 0.263 353 M C 2.223 178.499 176.300 -0.040 0.000 1.065 353 M CA 3.063 58.324 55.300 -0.065 0.000 1.122 353 M CB -2.150 30.400 32.600 -0.084 0.000 1.365 353 M HN 0.994 nan 8.290 nan 0.000 0.411 354 D N -0.271 120.117 120.400 -0.020 0.000 2.133 354 D HA -0.051 4.588 4.640 -0.001 0.000 0.195 354 D C 2.155 178.455 176.300 0.001 0.000 0.997 354 D CA 3.853 57.850 54.000 -0.004 0.000 0.840 354 D CB -1.096 39.719 40.800 0.025 0.000 0.947 354 D HN 0.928 nan 8.370 nan 0.000 0.452 355 Q N -0.792 119.014 119.800 0.011 0.000 2.030 355 Q HA 0.176 4.515 4.340 -0.001 0.000 0.204 355 Q C 2.995 178.996 176.000 0.002 0.000 0.986 355 Q CA 3.296 59.109 55.803 0.016 0.000 0.843 355 Q CB -1.630 27.130 28.738 0.036 0.000 0.904 355 Q HN 1.515 nan 8.270 nan 0.000 0.420 356 L N 1.193 122.426 121.223 0.016 0.000 2.081 356 L HA -0.167 4.173 4.340 -0.001 0.000 0.212 356 L C 2.818 179.753 176.870 0.108 0.000 1.080 356 L CA 3.386 58.260 54.840 0.056 0.000 0.754 356 L CB -2.046 40.059 42.059 0.077 0.000 0.893 356 L HN 1.025 nan 8.230 nan 0.000 0.433 357 S N -2.993 112.719 115.700 0.019 0.000 2.428 357 S HA -0.193 4.277 4.470 -0.001 0.000 0.230 357 S C 1.986 176.616 174.600 0.049 0.000 1.014 357 S CA 1.594 59.783 58.200 -0.018 0.000 0.957 357 S CB -0.926 62.212 63.200 -0.103 0.000 0.784 357 S HN 0.651 nan 8.310 nan 0.000 0.499 358 T N 2.062 116.638 114.554 0.037 0.000 2.904 358 T HA 0.083 4.432 4.350 -0.001 0.000 0.267 358 T C 1.784 176.524 174.700 0.066 0.000 1.059 358 T CA 1.091 63.233 62.100 0.070 0.000 1.137 358 T CB -0.358 68.530 68.868 0.033 0.000 0.879 358 T HN 0.289 nan 8.240 nan 0.000 0.467 359 V N 0.863 120.747 119.914 -0.050 0.000 2.515 359 V HA -0.167 3.952 4.120 -0.001 0.000 0.250 359 V C 2.155 178.170 176.094 -0.133 0.000 1.058 359 V CA 1.711 63.854 62.300 -0.261 0.000 1.064 359 V CB -0.593 30.873 31.823 -0.596 0.000 0.675 359 V HN 0.532 nan 8.190 nan 0.000 0.461 360 H N -1.088 117.947 119.070 -0.059 0.000 2.363 360 H HA -0.105 4.450 4.556 -0.001 0.000 0.301 360 H C 2.305 177.645 175.328 0.020 0.000 1.074 360 H CA 1.876 57.922 56.048 -0.003 0.000 1.354 360 H CB -0.262 29.422 29.762 -0.129 0.000 1.397 360 H HN 0.611 nan 8.280 nan 0.000 0.516 361 H N 0.774 119.872 119.070 0.047 0.000 2.319 361 H HA -0.106 4.450 4.556 -0.001 0.000 0.299 361 H C 1.842 177.173 175.328 0.005 0.000 1.092 361 H CA 1.810 57.846 56.048 -0.020 0.000 1.302 361 H CB 0.236 29.990 29.762 -0.013 0.000 1.373 361 H HN 0.209 nan 8.280 nan 0.000 0.497 362 E N 0.276 120.469 120.200 -0.011 0.000 2.047 362 E HA -0.188 4.161 4.350 -0.001 0.000 0.191 362 E C 2.457 179.064 176.600 0.012 0.000 0.987 362 E CA 1.231 57.662 56.400 0.052 0.000 0.799 362 E CB -0.513 29.295 29.700 0.180 0.000 0.752 362 E HN 0.577 nan 8.360 nan 0.000 0.449 363 M N 0.335 119.928 119.600 -0.012 0.000 2.213 363 M HA -0.090 4.390 4.480 -0.001 0.000 0.263 363 M C 2.008 178.127 176.300 -0.302 0.000 1.062 363 M CA 1.754 56.959 55.300 -0.159 0.000 1.105 363 M CB -0.237 32.219 32.600 -0.241 0.000 1.385 363 M HN 0.137 nan 8.290 nan 0.000 0.417 364 G N -0.794 107.936 108.800 -0.117 0.000 2.450 364 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.220 364 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.220 364 G C 1.243 175.993 174.900 -0.250 0.000 1.130 364 G CA 0.904 45.966 45.100 -0.063 0.000 0.760 364 G HN 0.499 nan 8.290 nan 0.000 0.557 365 H N 0.524 119.440 119.070 -0.256 0.000 2.321 365 H HA 0.011 4.566 4.556 -0.001 0.000 0.300 365 H C 2.737 177.674 175.328 -0.651 0.000 1.087 365 H CA 1.202 57.029 56.048 -0.368 0.000 1.319 365 H CB -0.224 29.329 29.762 -0.349 0.000 1.379 365 H HN 0.336 nan 8.280 nan 0.000 0.501 366 I N 0.699 121.121 120.570 -0.247 0.000 2.052 366 I HA -0.344 3.826 4.170 -0.001 0.000 0.235 366 I C 2.736 178.716 176.117 -0.228 0.000 1.046 366 I CA 1.662 62.893 61.300 -0.115 0.000 1.308 366 I CB -0.432 37.526 38.000 -0.071 0.000 1.031 366 I HN 0.154 nan 8.210 nan 0.000 0.395 367 Q N 0.152 119.742 119.800 -0.351 0.000 2.290 367 Q HA -0.296 4.044 4.340 -0.001 0.000 0.211 367 Q C 1.940 177.828 176.000 -0.188 0.000 0.991 367 Q CA 1.962 57.579 55.803 -0.310 0.000 0.893 367 Q CB -0.612 27.916 28.738 -0.349 0.000 0.913 367 Q HN 0.657 nan 8.270 nan 0.000 0.428 368 Y N -1.526 118.546 120.300 -0.379 0.000 2.243 368 Y HA -0.210 4.339 4.550 -0.001 0.000 0.293 368 Y C 1.547 177.207 175.900 -0.400 0.000 1.124 368 Y CA 0.831 58.618 58.100 -0.522 0.000 1.159 368 Y CB 0.041 38.055 38.460 -0.744 0.000 1.008 368 Y HN 0.216 nan 8.280 nan 0.000 0.527 369 Y N -0.005 120.406 120.300 0.185 0.000 2.114 369 Y HA -0.325 4.225 4.550 -0.001 0.000 0.284 369 Y C 2.352 178.377 175.900 0.208 0.000 1.143 369 Y CA 0.948 59.314 58.100 0.444 0.000 1.135 369 Y CB -0.371 38.284 38.460 0.325 0.000 0.980 369 Y HN 0.073 nan 8.280 nan 0.000 0.499 370 L N -0.228 120.960 121.223 -0.058 0.000 2.079 370 L HA -0.266 4.074 4.340 -0.001 0.000 0.210 370 L C 2.379 179.272 176.870 0.038 0.000 1.081 370 L CA 1.014 55.728 54.840 -0.209 0.000 0.752 370 L CB -0.519 41.347 42.059 -0.321 0.000 0.896 370 L HN 0.324 nan 8.230 nan 0.000 0.433 371 Q N -0.337 119.504 119.800 0.067 0.000 2.245 371 Q HA -0.107 4.232 4.340 -0.001 0.000 0.201 371 Q C 1.192 177.333 176.000 0.235 0.000 0.955 371 Q CA 1.187 57.035 55.803 0.075 0.000 0.870 371 Q CB 0.105 28.811 28.738 -0.053 0.000 0.945 371 Q HN 0.806 nan 8.270 nan 0.000 0.461 372 Y N -1.445 118.928 120.300 0.123 0.000 2.716 372 Y HA 0.410 4.959 4.550 -0.001 0.000 0.260 372 Y C 1.263 177.220 175.900 0.095 0.000 1.141 372 Y CA -0.746 57.418 58.100 0.108 0.000 1.168 372 Y CB 0.056 38.591 38.460 0.125 0.000 1.189 372 Y HN -0.081 nan 8.280 nan 0.000 0.549 373 K N 0.115 120.686 120.400 0.285 0.000 2.365 373 K HA -0.100 4.220 4.320 -0.001 0.000 0.199 373 K C 1.185 177.836 176.600 0.084 0.000 1.045 373 K CA 1.332 57.703 56.287 0.139 0.000 0.962 373 K CB -0.669 31.988 32.500 0.261 0.000 0.759 373 K HN 0.425 nan 8.250 nan 0.000 0.469 374 D N 1.730 122.197 120.400 0.113 0.000 2.309 374 D HA 0.109 4.749 4.640 -0.001 0.000 0.212 374 D C 1.145 177.478 176.300 0.055 0.000 0.968 374 D CA 1.522 55.571 54.000 0.082 0.000 0.882 374 D CB -0.508 40.346 40.800 0.090 0.000 0.918 374 D HN 0.359 nan 8.370 nan 0.000 0.503 375 L N -1.016 120.229 121.223 0.037 0.000 2.416 375 L HA 0.784 5.123 4.340 -0.001 0.000 0.263 375 L C -2.296 174.564 176.870 -0.017 0.000 1.065 375 L CA -1.871 52.977 54.840 0.013 0.000 0.798 375 L CB 0.066 42.137 42.059 0.020 0.000 1.267 375 L HN -0.047 nan 8.230 nan 0.000 0.467 376 P HA 0.428 nan 4.420 nan 0.000 0.270 376 P C 1.324 178.612 177.300 -0.021 0.000 1.242 376 P CA 0.808 63.903 63.100 -0.009 0.000 0.768 376 P CB 0.463 32.157 31.700 -0.010 0.000 0.820 377 V N 3.781 123.698 119.914 0.005 0.000 2.311 377 V HA -0.409 3.710 4.120 -0.001 0.000 0.259 377 V C 2.099 178.243 176.094 0.083 0.000 1.086 377 V CA 3.009 65.347 62.300 0.064 0.000 1.078 377 V CB -1.639 30.348 31.823 0.274 0.000 0.668 377 V HN 0.508 nan 8.190 nan 0.000 0.452 378 S N -0.224 115.503 115.700 0.046 0.000 2.520 378 S HA -0.039 4.431 4.470 -0.001 0.000 0.249 378 S C 1.507 176.108 174.600 0.001 0.000 0.983 378 S CA 1.857 60.071 58.200 0.023 0.000 0.958 378 S CB -0.312 62.883 63.200 -0.009 0.000 0.750 378 S HN 0.756 nan 8.310 nan 0.000 0.527 379 L N -0.391 120.816 121.223 -0.027 0.000 2.878 379 L HA 0.189 4.528 4.340 -0.001 0.000 0.253 379 L C 1.536 178.337 176.870 -0.114 0.000 1.135 379 L CA -0.189 54.627 54.840 -0.041 0.000 0.943 379 L CB 0.171 42.222 42.059 -0.014 0.000 1.307 379 L HN 0.045 nan 8.230 nan 0.000 0.545 380 R N 1.371 121.696 120.500 -0.291 0.000 5.015 380 R HA 0.141 4.481 4.340 -0.001 0.000 0.181 380 R C -0.040 175.925 176.300 -0.558 0.000 2.160 380 R CA 0.125 55.671 56.100 -0.923 0.000 1.752 380 R CB -1.530 28.239 30.300 -0.884 0.000 1.324 380 R HN 0.230 nan 8.270 nan 0.000 0.820 381 R N -0.348 120.115 120.500 -0.062 0.000 2.513 381 R HA 0.513 4.852 4.340 -0.001 0.000 0.301 381 R C 0.411 176.790 176.300 0.132 0.000 0.968 381 R CA 0.104 56.244 56.100 0.068 0.000 0.872 381 R CB 1.892 32.151 30.300 -0.068 0.000 1.177 381 R HN 0.572 nan 8.270 nan 0.000 0.444 382 G N 1.619 110.470 108.800 0.085 0.000 2.614 382 G HA2 0.000 3.959 3.960 -0.001 0.000 0.229 382 G HA3 0.000 3.959 3.960 -0.001 0.000 0.229 382 G C 0.997 175.829 174.900 -0.114 0.000 1.232 382 G CA 0.328 45.371 45.100 -0.096 0.000 0.857 382 G HN 0.811 nan 8.290 nan 0.000 0.560 383 A N 1.967 124.686 122.820 -0.167 0.000 1.940 383 A HA 0.028 4.347 4.320 -0.001 0.000 0.219 383 A C 1.237 178.615 177.584 -0.344 0.000 1.176 383 A CA 2.020 53.841 52.037 -0.361 0.000 0.631 383 A CB -0.469 17.980 19.000 -0.920 0.000 0.814 383 A HN 1.415 nan 8.150 nan 0.000 0.446 384 N N -4.687 113.894 118.700 -0.198 0.000 2.636 384 N HA 0.348 5.088 4.740 -0.001 0.000 0.261 384 N C -2.900 172.633 175.510 0.038 0.000 1.195 384 N CA -1.714 51.231 53.050 -0.175 0.000 0.902 384 N CB 0.522 39.085 38.487 0.126 0.000 1.627 384 N HN -0.266 nan 8.380 nan 0.000 0.491 385 P HA -0.161 nan 4.420 nan 0.000 0.218 385 P C 1.317 178.768 177.300 0.251 0.000 1.152 385 P CA 2.633 65.729 63.100 -0.007 0.000 0.857 385 P CB -0.011 31.655 31.700 -0.056 0.000 0.787 386 G N -1.247 107.823 108.800 0.449 0.000 2.480 386 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.216 386 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.216 386 G C 1.204 176.338 174.900 0.391 0.000 1.200 386 G CA 0.578 45.944 45.100 0.443 0.000 0.782 386 G HN 0.127 nan 8.290 nan 0.000 0.554 387 F N 0.809 120.925 119.950 0.277 0.000 2.111 387 F HA -0.180 4.347 4.527 -0.001 0.000 0.300 387 F C 2.577 178.554 175.800 0.294 0.000 1.088 387 F CA 1.522 59.716 58.000 0.322 0.000 1.243 387 F CB -0.713 38.539 39.000 0.421 0.000 0.996 387 F HN 0.198 nan 8.300 nan 0.000 0.483 388 H N 0.354 119.677 119.070 0.421 0.000 2.270 388 H HA -0.117 4.439 4.556 -0.001 0.000 0.299 388 H C 2.131 177.455 175.328 -0.008 0.000 1.077 388 H CA 1.844 58.040 56.048 0.247 0.000 1.294 388 H CB -0.127 29.739 29.762 0.173 0.000 1.371 388 H HN 0.162 nan 8.280 nan 0.000 0.491 389 E N 0.450 120.770 120.200 0.200 0.000 2.265 389 E HA -0.079 4.270 4.350 -0.001 0.000 0.196 389 E C 2.178 178.812 176.600 0.056 0.000 0.996 389 E CA 0.704 57.183 56.400 0.131 0.000 0.832 389 E CB -0.318 29.400 29.700 0.030 0.000 0.756 389 E HN 0.449 nan 8.360 nan 0.000 0.491 390 A N 1.702 124.527 122.820 0.010 0.000 1.854 390 A HA -0.110 4.209 4.320 -0.001 0.000 0.214 390 A C 2.204 179.746 177.584 -0.070 0.000 1.192 390 A CA 0.807 52.791 52.037 -0.089 0.000 0.611 390 A CB -0.440 18.436 19.000 -0.206 0.000 0.832 390 A HN 0.108 nan 8.150 nan 0.000 0.442 391 I N 0.289 120.850 120.570 -0.015 0.000 2.093 391 I HA -0.348 3.821 4.170 -0.001 0.000 0.239 391 I C 2.697 178.744 176.117 -0.117 0.000 1.026 391 I CA 2.154 63.415 61.300 -0.065 0.000 1.295 391 I CB -1.967 35.938 38.000 -0.159 0.000 1.007 391 I HN 0.389 nan 8.210 nan 0.000 0.401 392 G N 0.344 109.055 108.800 -0.149 0.000 2.469 392 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.220 392 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.220 392 G C 1.328 176.148 174.900 -0.132 0.000 1.136 392 G CA 1.076 46.123 45.100 -0.088 0.000 0.759 392 G HN 0.367 nan 8.290 nan 0.000 0.562 393 D N 0.104 120.405 120.400 -0.165 0.000 2.117 393 D HA -0.072 4.567 4.640 -0.001 0.000 0.198 393 D C 2.849 178.884 176.300 -0.442 0.000 0.982 393 D CA 0.758 54.571 54.000 -0.311 0.000 0.828 393 D CB -0.378 40.183 40.800 -0.399 0.000 0.967 393 D HN 0.207 nan 8.370 nan 0.000 0.464 394 V N 1.029 120.712 119.914 -0.384 0.000 2.282 394 V HA -0.267 3.852 4.120 -0.001 0.000 0.249 394 V C 2.502 178.316 176.094 -0.467 0.000 1.057 394 V CA 1.303 63.358 62.300 -0.409 0.000 1.032 394 V CB -0.548 31.174 31.823 -0.169 0.000 0.645 394 V HN 0.133 nan 8.190 nan 0.000 0.447 395 L N 0.461 121.410 121.223 -0.455 0.000 2.141 395 L HA -0.038 4.301 4.340 -0.001 0.000 0.209 395 L C 2.567 178.913 176.870 -0.873 0.000 1.094 395 L CA 2.060 56.495 54.840 -0.674 0.000 0.763 395 L CB -1.251 40.332 42.059 -0.793 0.000 0.908 395 L HN 0.302 nan 8.230 nan 0.000 0.437 396 A N -0.972 121.436 122.820 -0.686 0.000 2.067 396 A HA -0.104 4.215 4.320 -0.001 0.000 0.219 396 A C 2.304 179.532 177.584 -0.592 0.000 1.158 396 A CA 1.063 52.661 52.037 -0.731 0.000 0.661 396 A CB -0.648 18.045 19.000 -0.512 0.000 0.801 396 A HN 0.381 nan 8.150 nan 0.000 0.452 397 L N -0.280 120.594 121.223 -0.582 0.000 2.083 397 L HA -0.155 4.184 4.340 -0.001 0.000 0.209 397 L C 2.432 179.102 176.870 -0.333 0.000 1.083 397 L CA 1.545 56.079 54.840 -0.510 0.000 0.752 397 L CB -0.220 41.305 42.059 -0.890 0.000 0.899 397 L HN 0.342 nan 8.230 nan 0.000 0.433 398 S N -1.429 114.034 115.700 -0.394 0.000 2.528 398 S HA -0.001 4.468 4.470 -0.001 0.000 0.219 398 S C 1.757 176.125 174.600 -0.387 0.000 0.985 398 S CA 0.251 58.321 58.200 -0.216 0.000 0.914 398 S CB 0.382 63.581 63.200 -0.002 0.000 0.776 398 S HN 0.156 nan 8.310 nan 0.000 0.526 399 V N 1.636 121.185 119.914 -0.609 0.000 2.992 399 V HA 0.084 4.204 4.120 -0.001 0.000 0.250 399 V C 2.767 178.707 176.094 -0.256 0.000 1.090 399 V CA 1.521 63.446 62.300 -0.625 0.000 1.101 399 V CB -1.033 30.312 31.823 -0.796 0.000 0.743 399 V HN 0.570 nan 8.190 nan 0.000 0.468 400 S N 0.829 116.405 115.700 -0.208 0.000 2.423 400 S HA -0.109 4.361 4.470 -0.001 0.000 0.231 400 S C 1.454 176.141 174.600 0.145 0.000 1.014 400 S CA 1.425 59.620 58.200 -0.008 0.000 0.965 400 S CB -0.640 62.570 63.200 0.018 0.000 0.785 400 S HN 0.663 nan 8.310 nan 0.000 0.495 401 T N 0.412 114.984 114.554 0.031 0.000 2.928 401 T HA 0.361 4.710 4.350 -0.001 0.000 0.305 401 T C -1.949 172.666 174.700 -0.142 0.000 1.035 401 T CA -1.111 60.893 62.100 -0.160 0.000 1.145 401 T CB 0.889 69.689 68.868 -0.114 0.000 0.963 401 T HN -0.015 nan 8.240 nan 0.000 0.545 402 P HA -0.007 nan 4.420 nan 0.000 0.219 402 P C 1.738 179.009 177.300 -0.049 0.000 1.146 402 P CA 1.635 64.648 63.100 -0.144 0.000 0.808 402 P CB -0.136 31.438 31.700 -0.210 0.000 0.779 403 E N -0.953 119.214 120.200 -0.055 0.000 2.152 403 E HA -0.230 4.119 4.350 -0.001 0.000 0.192 403 E C 1.845 178.508 176.600 0.106 0.000 0.983 403 E CA 1.457 57.870 56.400 0.022 0.000 0.818 403 E CB -1.681 28.016 29.700 -0.005 0.000 0.758 403 E HN 0.434 nan 8.360 nan 0.000 0.467 404 H N -0.619 118.450 119.070 -0.000 0.000 2.415 404 H HA 0.239 4.795 4.556 -0.001 0.000 0.297 404 H C 2.450 177.771 175.328 -0.012 0.000 1.048 404 H CA 2.053 58.099 56.048 -0.004 0.000 1.365 404 H CB 0.025 29.771 29.762 -0.027 0.000 1.421 404 H HN 0.369 nan 8.280 nan 0.000 0.533 405 L N 0.280 121.567 121.223 0.107 0.000 1.970 405 L HA -0.197 4.142 4.340 -0.001 0.000 0.212 405 L C 2.518 179.393 176.870 0.009 0.000 1.071 405 L CA 2.846 57.715 54.840 0.047 0.000 0.751 405 L CB -2.149 39.925 42.059 0.026 0.000 0.889 405 L HN 0.782 nan 8.230 nan 0.000 0.432 406 H N -0.899 118.144 119.070 -0.045 0.000 2.421 406 H HA -0.211 4.344 4.556 -0.001 0.000 0.298 406 H C 2.269 177.565 175.328 -0.053 0.000 1.087 406 H CA 1.876 57.899 56.048 -0.041 0.000 1.330 406 H CB -0.180 29.561 29.762 -0.036 0.000 1.388 406 H HN 0.647 nan 8.280 nan 0.000 0.526 407 K N 0.778 121.042 120.400 -0.227 0.000 2.034 407 K HA -0.157 4.162 4.320 -0.001 0.000 0.214 407 K C 1.289 177.698 176.600 -0.319 0.000 1.051 407 K CA 2.029 58.130 56.287 -0.309 0.000 0.931 407 K CB -0.254 32.083 32.500 -0.272 0.000 0.715 407 K HN 0.549 nan 8.250 nan 0.000 0.446 408 I N -2.045 118.374 120.570 -0.252 0.000 3.562 408 I HA 0.312 4.481 4.170 -0.001 0.000 0.285 408 I C 0.842 176.910 176.117 -0.082 0.000 1.211 408 I CA -0.497 60.734 61.300 -0.116 0.000 0.887 408 I CB 0.138 38.128 38.000 -0.017 0.000 1.581 408 I HN 0.122 nan 8.210 nan 0.000 0.735 409 G N -0.706 108.112 108.800 0.029 0.000 2.653 409 G HA2 0.449 4.409 3.960 -0.001 0.000 0.265 409 G HA3 0.449 4.409 3.960 -0.001 0.000 0.265 409 G C 0.400 175.301 174.900 0.001 0.000 1.237 409 G CA 0.670 45.789 45.100 0.033 0.000 0.946 409 G HN 2.040 nan 8.290 nan 0.000 0.522 410 L N -1.298 119.918 121.223 -0.011 0.000 3.754 410 L HA -0.036 4.303 4.340 -0.001 0.000 0.410 410 L C -0.029 176.821 176.870 -0.032 0.000 1.230 410 L CA 1.061 55.864 54.840 -0.061 0.000 0.901 410 L CB -2.507 39.445 42.059 -0.179 0.000 1.982 410 L HN 1.117 nan 8.230 nan 0.000 0.822 411 L N -0.715 120.518 121.223 0.017 0.000 2.572 411 L HA 0.410 4.749 4.340 -0.001 0.000 0.249 411 L C 0.838 177.798 176.870 0.149 0.000 1.114 411 L CA 0.657 55.538 54.840 0.069 0.000 0.933 411 L CB 0.651 42.762 42.059 0.087 0.000 1.131 411 L HN 0.756 nan 8.230 nan 0.000 0.507 412 D N 1.251 121.709 120.400 0.097 0.000 2.103 412 D HA 0.072 4.711 4.640 -0.001 0.000 0.199 412 D C 1.045 177.399 176.300 0.090 0.000 0.978 412 D CA 1.804 55.874 54.000 0.117 0.000 0.829 412 D CB 0.113 40.949 40.800 0.060 0.000 0.981 412 D HN 0.487 nan 8.370 nan 0.000 0.464 413 R N 0.153 120.668 120.500 0.026 0.000 2.275 413 R HA 0.621 4.960 4.340 -0.001 0.000 0.326 413 R C -0.313 175.946 176.300 -0.069 0.000 0.973 413 R CA -0.315 55.766 56.100 -0.031 0.000 0.854 413 R CB 0.262 30.552 30.300 -0.017 0.000 1.156 413 R HN 0.511 nan 8.270 nan 0.000 0.487 414 V N 2.953 122.769 119.914 -0.163 0.000 2.338 414 V HA 0.122 4.242 4.120 -0.001 0.000 0.255 414 V C 1.734 177.754 176.094 -0.123 0.000 1.082 414 V CA 0.143 62.341 62.300 -0.171 0.000 0.951 414 V CB -0.414 31.233 31.823 -0.294 0.000 1.102 414 V HN 0.978 nan 8.190 nan 0.000 0.489 415 T N 0.698 115.205 114.554 -0.079 0.000 2.569 415 T HA -0.253 4.096 4.350 -0.001 0.000 0.263 415 T C 1.303 175.964 174.700 -0.064 0.000 1.074 415 T CA 1.363 63.427 62.100 -0.060 0.000 1.176 415 T CB -0.420 68.427 68.868 -0.036 0.000 0.863 415 T HN 0.727 nan 8.240 nan 0.000 0.410 416 N N 1.691 120.353 118.700 -0.064 0.000 2.816 416 N HA -0.144 4.596 4.740 -0.001 0.000 0.247 416 N C -0.932 174.549 175.510 -0.048 0.000 1.100 416 N CA 0.721 53.735 53.050 -0.060 0.000 0.687 416 N CB -1.182 37.265 38.487 -0.066 0.000 1.003 416 N HN 0.636 nan 8.380 nan 0.000 0.554 417 D N -1.185 119.189 120.400 -0.043 0.000 2.507 417 D HA 0.467 5.106 4.640 -0.001 0.000 0.280 417 D C 1.301 177.576 176.300 -0.041 0.000 1.219 417 D CA 0.803 54.772 54.000 -0.051 0.000 1.085 417 D CB 0.809 41.575 40.800 -0.056 0.000 1.134 417 D HN 0.250 nan 8.370 nan 0.000 0.583 418 T N -1.760 112.758 114.554 -0.061 0.000 2.969 418 T HA 0.141 4.490 4.350 -0.001 0.000 0.258 418 T C 1.278 175.938 174.700 -0.066 0.000 0.962 418 T CA -0.308 61.769 62.100 -0.040 0.000 0.903 418 T CB 0.515 69.362 68.868 -0.035 0.000 1.177 418 T HN 0.310 nan 8.240 nan 0.000 0.511 419 E N 2.491 122.597 120.200 -0.157 0.000 2.072 419 E HA -0.101 4.249 4.350 -0.001 0.000 0.191 419 E C 2.353 178.994 176.600 0.068 0.000 0.985 419 E CA 1.609 57.851 56.400 -0.264 0.000 0.801 419 E CB -0.105 29.211 29.700 -0.641 0.000 0.750 419 E HN 0.611 nan 8.360 nan 0.000 0.452 420 S N 0.906 116.623 115.700 0.029 0.000 2.481 420 S HA -0.137 4.332 4.470 -0.001 0.000 0.231 420 S C 1.549 176.213 174.600 0.107 0.000 0.996 420 S CA 1.206 59.458 58.200 0.087 0.000 0.942 420 S CB 0.099 63.325 63.200 0.042 0.000 0.768 420 S HN 0.071 nan 8.310 nan 0.000 0.520 421 D N 0.831 121.278 120.400 0.077 0.000 2.249 421 D HA 0.104 4.744 4.640 -0.001 0.000 0.205 421 D C 1.512 177.879 176.300 0.111 0.000 0.962 421 D CA 0.152 54.224 54.000 0.120 0.000 0.860 421 D CB -0.230 40.632 40.800 0.103 0.000 0.955 421 D HN 0.336 nan 8.370 nan 0.000 0.505 422 I N 0.965 121.555 120.570 0.034 0.000 2.286 422 I HA -0.148 4.021 4.170 -0.001 0.000 0.245 422 I C 1.897 177.968 176.117 -0.077 0.000 1.104 422 I CA 0.745 61.980 61.300 -0.108 0.000 1.397 422 I CB -0.582 37.261 38.000 -0.262 0.000 1.072 422 I HN -0.004 nan 8.210 nan 0.000 0.417 423 N N -0.276 118.457 118.700 0.054 0.000 2.025 423 N HA -0.275 4.464 4.740 -0.001 0.000 0.194 423 N C 1.959 177.644 175.510 0.291 0.000 1.044 423 N CA 1.617 54.766 53.050 0.164 0.000 0.851 423 N CB -0.804 37.840 38.487 0.261 0.000 1.036 423 N HN 0.366 nan 8.380 nan 0.000 0.422 424 Y N 2.058 122.441 120.300 0.139 0.000 2.014 424 Y HA -0.210 4.339 4.550 -0.001 0.000 0.272 424 Y C 2.379 178.372 175.900 0.155 0.000 1.164 424 Y CA 1.634 59.805 58.100 0.119 0.000 1.114 424 Y CB -0.791 37.719 38.460 0.085 0.000 0.961 424 Y HN 0.013 nan 8.280 nan 0.000 0.489 425 L N -0.701 120.558 121.223 0.060 0.000 2.043 425 L HA -0.255 4.084 4.340 -0.001 0.000 0.212 425 L C 2.517 179.489 176.870 0.169 0.000 1.075 425 L CA 1.451 56.300 54.840 0.016 0.000 0.752 425 L CB -0.829 41.234 42.059 0.007 0.000 0.891 425 L HN 0.387 nan 8.230 nan 0.000 0.432 426 L N 0.220 121.526 121.223 0.138 0.000 2.017 426 L HA -0.249 4.091 4.340 -0.001 0.000 0.208 426 L C 2.601 179.629 176.870 0.263 0.000 1.073 426 L CA 1.877 56.818 54.840 0.169 0.000 0.745 426 L CB -0.551 41.560 42.059 0.086 0.000 0.894 426 L HN 0.107 nan 8.230 nan 0.000 0.432 427 K N -1.360 119.262 120.400 0.369 0.000 2.063 427 K HA -0.255 4.064 4.320 -0.001 0.000 0.208 427 K C 2.146 178.818 176.600 0.121 0.000 1.048 427 K CA 2.110 58.581 56.287 0.306 0.000 0.928 427 K CB -0.197 32.279 32.500 -0.041 0.000 0.713 427 K HN 0.218 nan 8.250 nan 0.000 0.442 428 M N 0.431 120.047 119.600 0.027 0.000 2.159 428 M HA -0.086 4.394 4.480 -0.001 0.000 0.263 428 M C 1.916 178.400 176.300 0.307 0.000 1.063 428 M CA 1.630 56.991 55.300 0.102 0.000 1.110 428 M CB -0.436 32.189 32.600 0.042 0.000 1.374 428 M HN 0.267 nan 8.290 nan 0.000 0.411 429 A N -0.378 122.640 122.820 0.330 0.000 1.883 429 A HA -0.161 4.158 4.320 -0.001 0.000 0.217 429 A C 2.135 179.725 177.584 0.009 0.000 1.186 429 A CA 1.584 53.619 52.037 -0.004 0.000 0.624 429 A CB -1.155 17.829 19.000 -0.026 0.000 0.822 429 A HN 0.507 nan 8.150 nan 0.000 0.444 430 L N -0.891 120.409 121.223 0.129 0.000 2.349 430 L HA -0.180 4.160 4.340 -0.001 0.000 0.220 430 L C 2.464 179.420 176.870 0.143 0.000 1.130 430 L CA 1.753 56.695 54.840 0.171 0.000 0.791 430 L CB -0.276 41.979 42.059 0.327 0.000 0.918 430 L HN 0.723 nan 8.230 nan 0.000 0.444 431 E N -0.782 119.502 120.200 0.140 0.000 2.364 431 E HA -0.057 4.292 4.350 -0.001 0.000 0.203 431 E C 1.811 178.552 176.600 0.235 0.000 0.888 431 E CA -0.131 56.370 56.400 0.169 0.000 0.989 431 E CB 0.510 30.277 29.700 0.111 0.000 0.985 431 E HN 0.181 nan 8.360 nan 0.000 0.499 432 K N 0.672 121.193 120.400 0.201 0.000 2.161 432 K HA 0.163 4.482 4.320 -0.001 0.000 0.205 432 K C 2.230 178.997 176.600 0.279 0.000 1.035 432 K CA 0.435 56.903 56.287 0.302 0.000 0.970 432 K CB -0.214 32.450 32.500 0.274 0.000 0.866 432 K HN 0.172 nan 8.250 nan 0.000 0.461 433 I N 1.778 122.332 120.570 -0.028 0.000 2.202 433 I HA -0.227 3.942 4.170 -0.001 0.000 0.242 433 I C 2.423 178.564 176.117 0.040 0.000 1.091 433 I CA 1.118 62.371 61.300 -0.078 0.000 1.368 433 I CB -0.404 37.394 38.000 -0.335 0.000 1.058 433 I HN 0.054 nan 8.210 nan 0.000 0.410 434 A N 0.618 123.378 122.820 -0.101 0.000 1.997 434 A HA -0.299 4.020 4.320 -0.001 0.000 0.221 434 A C 2.230 179.726 177.584 -0.146 0.000 1.172 434 A CA 1.741 53.573 52.037 -0.342 0.000 0.645 434 A CB -1.065 17.279 19.000 -1.093 0.000 0.813 434 A HN 0.487 nan 8.150 nan 0.000 0.454 435 F N 0.522 120.417 119.950 -0.091 0.000 2.075 435 F HA -0.146 4.381 4.527 -0.001 0.000 0.297 435 F C 1.916 177.677 175.800 -0.064 0.000 1.113 435 F CA 1.806 59.773 58.000 -0.055 0.000 1.218 435 F CB -0.350 38.563 39.000 -0.145 0.000 0.984 435 F HN 0.173 nan 8.300 nan 0.000 0.472 436 L N 0.750 122.098 121.223 0.209 0.000 2.058 436 L HA -0.313 4.026 4.340 -0.001 0.000 0.226 436 L C -0.431 176.460 176.870 0.035 0.000 1.089 436 L CA 2.237 57.264 54.840 0.312 0.000 0.799 436 L CB -2.769 39.552 42.059 0.437 0.000 0.900 436 L HN 0.190 nan 8.230 nan 0.000 0.442 437 P HA -0.247 nan 4.420 nan 0.000 0.215 437 P C 1.699 178.738 177.300 -0.434 0.000 1.157 437 P CA 1.749 64.631 63.100 -0.363 0.000 0.868 437 P CB -0.216 31.165 31.700 -0.532 0.000 0.788 438 F N 1.692 121.300 119.950 -0.570 0.000 2.146 438 F HA 0.064 4.590 4.527 -0.001 0.000 0.298 438 F C 2.279 177.700 175.800 -0.631 0.000 1.096 438 F CA 1.876 59.507 58.000 -0.616 0.000 1.275 438 F CB -1.224 37.424 39.000 -0.586 0.000 1.008 438 F HN -0.121 nan 8.300 nan 0.000 0.480 439 G N -2.082 106.181 108.800 -0.895 0.000 2.776 439 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.209 439 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.209 439 G C 1.187 175.928 174.900 -0.266 0.000 1.145 439 G CA 0.767 45.573 45.100 -0.491 0.000 0.791 439 G HN 0.546 nan 8.290 nan 0.000 0.530 440 Y N -0.025 119.827 120.300 -0.747 0.000 2.535 440 Y HA 0.364 4.914 4.550 -0.001 0.000 0.266 440 Y C 2.065 177.367 175.900 -0.997 0.000 1.088 440 Y CA -0.005 57.450 58.100 -1.075 0.000 1.285 440 Y CB 0.014 37.508 38.460 -1.610 0.000 1.166 440 Y HN 0.064 nan 8.280 nan 0.000 0.525 441 L N -0.763 119.865 121.223 -0.992 0.000 2.007 441 L HA -0.074 4.265 4.340 -0.001 0.000 0.205 441 L C 1.837 178.247 176.870 -0.767 0.000 1.073 441 L CA 1.717 55.975 54.840 -0.968 0.000 0.744 441 L CB -0.914 40.672 42.059 -0.789 0.000 0.898 441 L HN 0.055 nan 8.230 nan 0.000 0.435 442 V N 1.123 120.546 119.914 -0.817 0.000 2.236 442 V HA -0.410 3.710 4.120 -0.001 0.000 0.255 442 V C 2.102 177.993 176.094 -0.337 0.000 1.068 442 V CA 2.629 64.567 62.300 -0.605 0.000 1.044 442 V CB -0.902 30.288 31.823 -1.055 0.000 0.653 442 V HN 0.560 nan 8.190 nan 0.000 0.448 443 D N -0.928 119.196 120.400 -0.461 0.000 2.347 443 D HA 0.030 4.670 4.640 -0.001 0.000 0.215 443 D C 2.271 177.832 176.300 -1.231 0.000 0.976 443 D CA 0.992 54.643 54.000 -0.583 0.000 0.884 443 D CB -0.014 40.535 40.800 -0.419 0.000 0.915 443 D HN 0.583 nan 8.370 nan 0.000 0.526 444 Q N -0.821 118.357 119.800 -1.037 0.000 2.424 444 Q HA 0.038 4.377 4.340 -0.001 0.000 0.204 444 Q C 1.639 177.441 176.000 -0.331 0.000 0.933 444 Q CA 0.505 55.797 55.803 -0.851 0.000 0.929 444 Q CB -1.146 27.154 28.738 -0.730 0.000 1.037 444 Q HN 0.603 nan 8.270 nan 0.000 0.511 445 W N 0.795 121.853 121.300 -0.402 0.000 2.444 445 W HA 0.012 4.671 4.660 -0.001 0.000 0.308 445 W C 2.125 178.543 176.519 -0.168 0.000 1.183 445 W CA 1.332 58.575 57.345 -0.172 0.000 1.340 445 W CB 0.324 29.763 29.460 -0.035 0.000 1.138 445 W HN 0.245 nan 8.180 nan 0.000 0.510 446 R N -0.525 119.900 120.500 -0.126 0.000 2.120 446 R HA -0.194 4.146 4.340 -0.001 0.000 0.234 446 R C 1.930 178.051 176.300 -0.298 0.000 1.123 446 R CA 1.711 57.589 56.100 -0.370 0.000 0.975 446 R CB -0.866 29.393 30.300 -0.067 0.000 0.866 446 R HN 0.261 nan 8.270 nan 0.000 0.446 447 W N -0.250 120.969 121.300 -0.134 0.000 2.402 447 W HA 0.075 4.735 4.660 -0.001 0.000 0.286 447 W C 2.163 178.617 176.519 -0.107 0.000 1.221 447 W CA 0.836 58.158 57.345 -0.038 0.000 1.257 447 W CB -1.112 28.360 29.460 0.020 0.000 1.120 447 W HN 0.183 nan 8.180 nan 0.000 0.551 448 G N 0.021 108.817 108.800 -0.006 0.000 2.421 448 G HA2 -0.093 3.867 3.960 -0.001 0.000 0.217 448 G HA3 -0.093 3.867 3.960 -0.001 0.000 0.217 448 G C 1.596 176.400 174.900 -0.161 0.000 1.143 448 G CA 1.126 46.178 45.100 -0.078 0.000 0.784 448 G HN 0.089 nan 8.290 nan 0.000 0.541 449 V N 0.356 120.044 119.914 -0.376 0.000 2.255 449 V HA -0.032 4.088 4.120 -0.001 0.000 0.243 449 V C 2.421 178.426 176.094 -0.147 0.000 1.038 449 V CA 1.399 63.474 62.300 -0.376 0.000 1.008 449 V CB -0.769 30.578 31.823 -0.793 0.000 0.645 449 V HN 0.413 nan 8.190 nan 0.000 0.449 450 F N 0.860 120.734 119.950 -0.127 0.000 2.236 450 F HA -0.227 4.299 4.527 -0.001 0.000 0.302 450 F C 2.607 178.352 175.800 -0.092 0.000 1.073 450 F CA 1.093 59.013 58.000 -0.133 0.000 1.336 450 F CB -0.323 38.563 39.000 -0.190 0.000 1.040 450 F HN 0.311 nan 8.300 nan 0.000 0.507 451 S N -0.437 115.329 115.700 0.111 0.000 2.501 451 S HA 0.354 4.823 4.470 -0.001 0.000 0.220 451 S C 1.883 176.505 174.600 0.036 0.000 0.997 451 S CA 0.760 58.998 58.200 0.062 0.000 0.919 451 S CB -0.348 62.890 63.200 0.064 0.000 0.778 451 S HN 0.436 nan 8.310 nan 0.000 0.523 452 G N 0.257 109.073 108.800 0.026 0.000 2.175 452 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.244 452 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.244 452 G C 1.025 175.937 174.900 0.021 0.000 0.982 452 G CA 0.639 45.752 45.100 0.022 0.000 0.641 452 G HN 0.490 nan 8.290 nan 0.000 0.527 453 R N 0.067 120.577 120.500 0.016 0.000 2.153 453 R HA 0.185 4.524 4.340 -0.001 0.000 0.218 453 R C 0.766 177.085 176.300 0.032 0.000 1.072 453 R CA 1.562 57.675 56.100 0.022 0.000 0.990 453 R CB 0.114 30.426 30.300 0.021 0.000 0.889 453 R HN 0.315 nan 8.270 nan 0.000 0.452 454 T N 3.337 117.896 114.554 0.009 0.000 3.042 454 T HA 0.282 4.631 4.350 -0.001 0.000 0.356 454 T C -2.492 172.282 174.700 0.123 0.000 1.233 454 T CA -1.501 60.631 62.100 0.053 0.000 1.038 454 T CB 1.638 70.452 68.868 -0.090 0.000 1.089 454 T HN 0.023 nan 8.240 nan 0.000 0.531 455 P HA 0.306 nan 4.420 nan 0.000 0.279 455 P C -2.304 174.944 177.300 -0.087 0.000 1.282 455 P CA -1.599 61.530 63.100 0.049 0.000 0.788 455 P CB 0.764 32.465 31.700 0.001 0.000 1.139 456 P HA -0.101 nan 4.420 nan 0.000 0.222 456 P C 1.587 178.599 177.300 -0.479 0.000 1.147 456 P CA 1.513 64.016 63.100 -0.995 0.000 0.790 456 P CB -0.384 30.875 31.700 -0.735 0.000 0.780 457 S N -1.251 114.331 115.700 -0.196 0.000 2.603 457 S HA -0.005 4.464 4.470 -0.001 0.000 0.229 457 S C 1.220 175.839 174.600 0.032 0.000 0.972 457 S CA 0.439 58.591 58.200 -0.079 0.000 0.935 457 S CB -0.628 62.535 63.200 -0.062 0.000 0.769 457 S HN 0.105 nan 8.310 nan 0.000 0.536 458 R N -0.755 119.829 120.500 0.140 0.000 2.635 458 R HA 0.322 4.662 4.340 -0.001 0.000 0.393 458 R C -0.099 176.562 176.300 0.601 0.000 1.070 458 R CA -0.224 56.096 56.100 0.367 0.000 1.118 458 R CB 0.067 30.598 30.300 0.385 0.000 1.341 458 R HN 0.460 nan 8.270 nan 0.000 0.628 459 Y N -0.326 120.215 120.300 0.401 0.000 2.220 459 Y HA -0.121 4.429 4.550 -0.001 0.000 0.291 459 Y C 1.892 178.204 175.900 0.687 0.000 1.129 459 Y CA 0.775 59.237 58.100 0.604 0.000 1.161 459 Y CB 0.361 39.146 38.460 0.543 0.000 0.997 459 Y HN 0.187 nan 8.280 nan 0.000 0.522 460 N N -0.302 118.842 118.700 0.740 0.000 2.395 460 N HA -0.106 4.634 4.740 -0.001 0.000 0.175 460 N C 1.352 177.348 175.510 0.810 0.000 1.029 460 N CA 0.336 53.812 53.050 0.709 0.000 0.897 460 N CB -0.286 38.600 38.487 0.664 0.000 0.991 460 N HN 0.164 nan 8.380 nan 0.000 0.441 461 F N 1.530 121.799 119.950 0.531 0.000 2.075 461 F HA -0.101 4.426 4.527 -0.001 0.000 0.297 461 F C 1.515 177.603 175.800 0.481 0.000 1.113 461 F CA 1.470 59.741 58.000 0.451 0.000 1.218 461 F CB -0.295 38.894 39.000 0.315 0.000 0.984 461 F HN -0.010 nan 8.300 nan 0.000 0.472 462 D N -0.772 119.907 120.400 0.466 0.000 2.347 462 D HA -0.169 4.470 4.640 -0.001 0.000 0.215 462 D C 2.034 178.633 176.300 0.499 0.000 0.976 462 D CA 0.526 54.727 54.000 0.335 0.000 0.884 462 D CB -0.608 40.406 40.800 0.357 0.000 0.915 462 D HN 0.547 nan 8.370 nan 0.000 0.526 463 W N -0.010 121.448 121.300 0.263 0.000 2.413 463 W HA -0.185 4.475 4.660 -0.001 0.000 0.315 463 W C 1.273 177.642 176.519 -0.250 0.000 1.186 463 W CA 0.495 57.727 57.345 -0.188 0.000 1.326 463 W CB -0.548 28.607 29.460 -0.509 0.000 1.153 463 W HN -0.004 nan 8.180 nan 0.000 0.489 464 W N -0.251 121.158 121.300 0.182 0.000 2.465 464 W HA -0.181 4.479 4.660 -0.001 0.000 0.268 464 W C 2.308 178.808 176.519 -0.031 0.000 1.242 464 W CA 1.287 58.635 57.345 0.006 0.000 1.248 464 W CB -1.206 28.338 29.460 0.140 0.000 1.118 464 W HN 0.043 nan 8.180 nan 0.000 0.587 465 Y N 0.731 121.057 120.300 0.044 0.000 2.114 465 Y HA -0.243 4.306 4.550 -0.001 0.000 0.284 465 Y C 2.076 177.962 175.900 -0.024 0.000 1.143 465 Y CA 1.937 60.008 58.100 -0.048 0.000 1.135 465 Y CB -0.690 37.669 38.460 -0.168 0.000 0.980 465 Y HN -0.151 nan 8.280 nan 0.000 0.499 466 L N -0.097 121.163 121.223 0.062 0.000 2.093 466 L HA -0.178 4.161 4.340 -0.001 0.000 0.208 466 L C 2.672 179.428 176.870 -0.190 0.000 1.085 466 L CA 1.035 55.862 54.840 -0.021 0.000 0.755 466 L CB -0.518 41.533 42.059 -0.014 0.000 0.904 466 L HN 0.162 nan 8.230 nan 0.000 0.435 467 R N -0.541 119.707 120.500 -0.421 0.000 2.075 467 R HA -0.068 4.272 4.340 -0.001 0.000 0.232 467 R C 2.220 178.386 176.300 -0.224 0.000 1.126 467 R CA 1.635 57.451 56.100 -0.473 0.000 0.963 467 R CB -0.829 28.964 30.300 -0.845 0.000 0.858 467 R HN 0.314 nan 8.270 nan 0.000 0.435 468 T N 1.174 115.641 114.554 -0.145 0.000 2.896 468 T HA -0.072 4.278 4.350 -0.001 0.000 0.263 468 T C 1.791 176.406 174.700 -0.142 0.000 1.050 468 T CA 1.150 63.141 62.100 -0.181 0.000 1.140 468 T CB 0.046 68.881 68.868 -0.056 0.000 0.877 468 T HN 0.267 nan 8.240 nan 0.000 0.457 469 K N -0.290 119.987 120.400 -0.204 0.000 2.103 469 K HA -0.141 4.178 4.320 -0.001 0.000 0.207 469 K C 1.604 178.114 176.600 -0.150 0.000 1.048 469 K CA 1.570 57.705 56.287 -0.253 0.000 0.930 469 K CB -0.099 31.999 32.500 -0.669 0.000 0.716 469 K HN 0.404 nan 8.250 nan 0.000 0.444 470 Y N -0.058 120.221 120.300 -0.036 0.000 2.333 470 Y HA 0.105 4.654 4.550 -0.001 0.000 0.287 470 Y C 2.388 178.321 175.900 0.055 0.000 1.149 470 Y CA 0.431 58.540 58.100 0.016 0.000 1.193 470 Y CB -0.072 38.265 38.460 -0.204 0.000 1.175 470 Y HN -0.025 nan 8.280 nan 0.000 0.518 471 Q N -0.071 119.758 119.800 0.049 0.000 2.224 471 Q HA 0.035 4.375 4.340 -0.001 0.000 0.203 471 Q C 1.095 177.049 176.000 -0.077 0.000 0.970 471 Q CA 0.939 56.777 55.803 0.058 0.000 0.865 471 Q CB -0.135 28.619 28.738 0.027 0.000 0.922 471 Q HN 0.677 nan 8.270 nan 0.000 0.445 472 G N 1.909 110.274 108.800 -0.725 0.000 2.272 472 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.280 472 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.280 472 G C 0.041 174.417 174.900 -0.875 0.000 1.067 472 G CA 0.663 44.474 45.100 -2.148 0.000 0.902 472 G HN 0.467 nan 8.290 nan 0.000 0.500 473 I N -3.144 117.185 120.570 -0.401 0.000 3.108 473 I HA 0.933 5.102 4.170 -0.001 0.000 0.312 473 I C 0.435 176.492 176.117 -0.101 0.000 1.095 473 I CA -1.170 60.038 61.300 -0.152 0.000 1.000 473 I CB 2.277 40.260 38.000 -0.028 0.000 1.229 473 I HN 0.657 nan 8.210 nan 0.000 0.454 474 C N 0.604 119.824 119.300 -0.134 0.000 3.170 474 C HA 0.698 5.157 4.460 -0.001 0.000 0.319 474 C C -2.906 171.754 174.990 -0.550 0.000 1.260 474 C CA -1.729 57.106 59.018 -0.305 0.000 1.374 474 C CB 1.752 29.175 27.740 -0.528 0.000 1.739 474 C HN 0.723 nan 8.230 nan 0.000 0.479 475 P HA 0.215 nan 4.420 nan 0.000 0.267 475 P C -2.076 174.790 177.300 -0.723 0.000 1.205 475 P CA -0.528 61.966 63.100 -1.009 0.000 0.765 475 P CB 0.554 31.586 31.700 -1.113 0.000 0.828 476 P HA 0.054 nan 4.420 nan 0.000 0.253 476 P C -0.043 177.022 177.300 -0.392 0.000 1.281 476 P CA 0.334 63.100 63.100 -0.557 0.000 0.792 476 P CB 0.485 31.650 31.700 -0.892 0.000 1.193 477 V N -1.002 118.726 119.914 -0.311 0.000 3.000 477 V HA 0.186 4.306 4.120 -0.001 0.000 0.300 477 V C -0.381 175.655 176.094 -0.097 0.000 1.251 477 V CA -0.465 61.751 62.300 -0.140 0.000 0.972 477 V CB 2.352 34.146 31.823 -0.048 0.000 1.065 477 V HN -0.135 nan 8.190 nan 0.000 0.431 478 T N 6.410 120.934 114.554 -0.049 0.000 2.937 478 T HA 0.341 4.690 4.350 -0.001 0.000 0.316 478 T C -0.341 174.380 174.700 0.036 0.000 1.079 478 T CA -0.077 62.001 62.100 -0.037 0.000 1.131 478 T CB -0.008 68.849 68.868 -0.019 0.000 1.000 478 T HN 0.542 nan 8.240 nan 0.000 0.549 479 R N 3.053 123.590 120.500 0.062 0.000 2.538 479 R HA 0.381 4.720 4.340 -0.001 0.000 0.292 479 R C -0.410 176.102 176.300 0.353 0.000 1.008 479 R CA -0.733 55.524 56.100 0.263 0.000 0.896 479 R CB 1.290 31.635 30.300 0.075 0.000 1.187 479 R HN 0.669 nan 8.270 nan 0.000 0.440 480 N N 0.936 119.884 118.700 0.414 0.000 2.530 480 N HA 0.135 4.874 4.740 -0.001 0.000 0.283 480 N C 0.335 175.951 175.510 0.177 0.000 1.238 480 N CA -0.626 52.514 53.050 0.150 0.000 0.971 480 N CB 1.103 39.567 38.487 -0.038 0.000 1.195 480 N HN 0.416 nan 8.380 nan 0.000 0.583 481 E N 0.135 120.405 120.200 0.117 0.000 2.511 481 E HA -0.054 4.295 4.350 -0.001 0.000 0.196 481 E C 1.178 177.817 176.600 0.065 0.000 1.066 481 E CA 0.457 56.946 56.400 0.149 0.000 0.871 481 E CB -0.429 29.333 29.700 0.103 0.000 0.863 481 E HN 0.688 nan 8.360 nan 0.000 0.520 482 T N -3.043 111.471 114.554 -0.067 0.000 3.129 482 T HA 0.053 4.402 4.350 -0.001 0.000 0.251 482 T C 0.388 175.056 174.700 -0.055 0.000 1.117 482 T CA -0.024 62.010 62.100 -0.111 0.000 1.034 482 T CB -0.271 68.480 68.868 -0.195 0.000 0.968 482 T HN 0.137 nan 8.240 nan 0.000 0.526 483 H N -0.419 118.744 119.070 0.154 0.000 2.508 483 H HA 0.560 5.115 4.556 -0.001 0.000 0.344 483 H C -1.219 174.296 175.328 0.312 0.000 1.192 483 H CA -1.190 54.972 56.048 0.190 0.000 1.290 483 H CB 1.343 31.227 29.762 0.203 0.000 1.571 483 H HN 0.244 nan 8.280 nan 0.000 0.555 484 F N 1.641 121.696 119.950 0.176 0.000 2.766 484 F HA 0.127 4.653 4.527 -0.001 0.000 0.355 484 F C -0.126 175.573 175.800 -0.169 0.000 1.434 484 F CA -0.574 57.439 58.000 0.023 0.000 1.139 484 F CB 0.589 39.600 39.000 0.019 0.000 1.816 484 F HN 0.575 nan 8.300 nan 0.000 0.600 485 D N 1.778 122.060 120.400 -0.197 0.000 2.218 485 D HA -0.125 4.514 4.640 -0.001 0.000 0.204 485 D C 2.164 177.864 176.300 -1.001 0.000 0.976 485 D CA 1.143 54.972 54.000 -0.284 0.000 0.853 485 D CB 0.251 41.221 40.800 0.284 0.000 0.939 485 D HN 0.561 nan 8.370 nan 0.000 0.481 486 A N 0.883 122.493 122.820 -2.017 0.000 2.015 486 A HA 0.013 4.333 4.320 -0.001 0.000 0.219 486 A C 2.326 178.832 177.584 -1.796 0.000 1.163 486 A CA 1.595 51.999 52.037 -2.721 0.000 0.646 486 A CB -0.733 16.216 19.000 -3.419 0.000 0.806 486 A HN 0.288 nan 8.150 nan 0.000 0.448 487 G N -1.047 106.541 108.800 -2.020 0.000 2.679 487 G HA2 0.196 4.156 3.960 -0.001 0.000 0.212 487 G HA3 0.196 4.156 3.960 -0.001 0.000 0.212 487 G C 1.219 175.774 174.900 -0.574 0.000 1.137 487 G CA 0.799 45.090 45.100 -1.349 0.000 0.787 487 G HN 0.730 nan 8.290 nan 0.000 0.534 488 A N -0.521 122.016 122.820 -0.473 0.000 2.238 488 A HA 0.381 4.701 4.320 -0.001 0.000 0.208 488 A C 1.102 179.038 177.584 0.587 0.000 1.177 488 A CA 0.299 52.297 52.037 -0.065 0.000 0.804 488 A CB -0.054 18.649 19.000 -0.494 0.000 0.823 488 A HN 0.214 nan 8.150 nan 0.000 0.482 489 K N -0.681 119.805 120.400 0.142 0.000 2.265 489 K HA 0.427 4.746 4.320 -0.001 0.000 0.267 489 K C 0.273 176.715 176.600 -0.265 0.000 0.994 489 K CA -0.926 55.369 56.287 0.013 0.000 0.860 489 K CB 0.105 32.462 32.500 -0.238 0.000 1.099 489 K HN 0.093 nan 8.250 nan 0.000 0.448 490 F N 3.756 123.395 119.950 -0.518 0.000 2.063 490 F HA -0.376 4.151 4.527 -0.001 0.000 0.296 490 F C 1.124 176.511 175.800 -0.689 0.000 1.093 490 F CA 2.322 59.714 58.000 -1.012 0.000 1.229 490 F CB -0.137 38.345 39.000 -0.863 0.000 0.971 490 F HN 0.879 nan 8.300 nan 0.000 0.491 491 H N -1.066 117.901 119.070 -0.171 0.000 2.489 491 H HA -0.105 4.451 4.556 -0.001 0.000 0.295 491 H C 2.137 177.378 175.328 -0.144 0.000 1.082 491 H CA 1.399 57.413 56.048 -0.058 0.000 1.295 491 H CB -0.680 29.167 29.762 0.142 0.000 1.380 491 H HN 0.262 nan 8.280 nan 0.000 0.548 492 V N 1.253 121.049 119.914 -0.196 0.000 2.273 492 V HA -0.094 4.025 4.120 -0.001 0.000 0.242 492 V C -0.476 175.536 176.094 -0.138 0.000 1.035 492 V CA 1.556 63.743 62.300 -0.189 0.000 1.013 492 V CB -1.063 30.447 31.823 -0.521 0.000 0.652 492 V HN 0.411 nan 8.190 nan 0.000 0.452 493 P HA -0.115 nan 4.420 nan 0.000 0.226 493 P C 0.726 177.837 177.300 -0.316 0.000 1.153 493 P CA 1.237 64.205 63.100 -0.220 0.000 0.777 493 P CB -0.142 31.411 31.700 -0.245 0.000 0.794 494 N N -0.054 118.369 118.700 -0.462 0.000 2.276 494 N HA 0.094 4.833 4.740 -0.001 0.000 0.212 494 N C -0.178 175.233 175.510 -0.165 0.000 1.127 494 N CA -0.170 52.614 53.050 -0.442 0.000 0.834 494 N CB 0.534 38.481 38.487 -0.901 0.000 1.014 494 N HN -0.197 nan 8.380 nan 0.000 0.491 495 V N 1.552 121.439 119.914 -0.044 0.000 5.637 495 V HA -0.233 3.886 4.120 -0.001 0.000 0.246 495 V C -0.201 176.064 176.094 0.285 0.000 0.678 495 V CA 1.063 63.504 62.300 0.235 0.000 0.578 495 V CB -2.356 29.581 31.823 0.189 0.000 0.235 495 V HN 0.257 nan 8.190 nan 0.000 0.609 496 T N 2.409 117.111 114.554 0.247 0.000 2.791 496 T HA 0.484 4.833 4.350 -0.001 0.000 0.288 496 T C -2.039 172.818 174.700 0.263 0.000 0.999 496 T CA -1.290 60.944 62.100 0.224 0.000 0.952 496 T CB 2.007 71.052 68.868 0.295 0.000 0.938 496 T HN 0.214 nan 8.240 nan 0.000 0.444 497 P HA 0.006 nan 4.420 nan 0.000 0.269 497 P C -0.413 177.169 177.300 0.469 0.000 1.205 497 P CA 0.153 63.248 63.100 -0.008 0.000 0.780 497 P CB 0.573 32.160 31.700 -0.188 0.000 0.858 498 Y N 1.333 121.850 120.300 0.360 0.000 2.585 498 Y HA 0.162 4.711 4.550 -0.001 0.000 0.272 498 Y C 1.809 177.966 175.900 0.427 0.000 1.119 498 Y CA 0.043 58.361 58.100 0.364 0.000 1.255 498 Y CB -0.242 38.214 38.460 -0.007 0.000 1.284 498 Y HN 0.136 nan 8.280 nan 0.000 0.499 499 I N 2.118 122.971 120.570 0.472 0.000 2.761 499 I HA -0.270 3.899 4.170 -0.001 0.000 0.266 499 I C 2.305 178.733 176.117 0.519 0.000 1.239 499 I CA 1.421 62.991 61.300 0.450 0.000 1.451 499 I CB -0.443 37.903 38.000 0.578 0.000 1.096 499 I HN 0.274 nan 8.210 nan 0.000 0.465 500 R N -1.020 119.767 120.500 0.477 0.000 2.115 500 R HA -0.168 4.171 4.340 -0.001 0.000 0.230 500 R C 1.799 178.204 176.300 0.174 0.000 1.111 500 R CA 1.639 57.956 56.100 0.363 0.000 0.976 500 R CB -1.122 29.285 30.300 0.179 0.000 0.870 500 R HN 0.338 nan 8.270 nan 0.000 0.445 501 Y N -0.136 120.213 120.300 0.081 0.000 2.457 501 Y HA -0.002 4.547 4.550 -0.001 0.000 0.292 501 Y C 1.965 177.930 175.900 0.108 0.000 1.125 501 Y CA 0.354 58.447 58.100 -0.013 0.000 1.254 501 Y CB -0.304 37.958 38.460 -0.331 0.000 1.012 501 Y HN 0.027 nan 8.280 nan 0.000 0.555 502 F N 0.062 120.158 119.950 0.243 0.000 2.074 502 F HA -0.143 4.383 4.527 -0.001 0.000 0.293 502 F C 2.183 178.127 175.800 0.239 0.000 1.116 502 F CA 1.137 59.273 58.000 0.226 0.000 1.212 502 F CB -0.865 38.251 39.000 0.194 0.000 0.998 502 F HN -0.203 nan 8.300 nan 0.000 0.471 503 V N 0.070 120.123 119.914 0.232 0.000 2.317 503 V HA -0.383 3.736 4.120 -0.001 0.000 0.251 503 V C 2.742 178.850 176.094 0.024 0.000 1.065 503 V CA 2.211 64.578 62.300 0.112 0.000 1.049 503 V CB -1.501 30.517 31.823 0.325 0.000 0.651 503 V HN 0.587 nan 8.190 nan 0.000 0.450 504 S N -0.508 115.257 115.700 0.108 0.000 2.365 504 S HA -0.228 4.241 4.470 -0.001 0.000 0.225 504 S C 1.865 176.488 174.600 0.039 0.000 1.039 504 S CA 1.986 60.218 58.200 0.052 0.000 1.033 504 S CB -0.433 62.837 63.200 0.118 0.000 0.887 504 S HN 0.476 nan 8.310 nan 0.000 0.447 505 F N 1.328 121.182 119.950 -0.161 0.000 2.171 505 F HA 0.013 4.539 4.527 -0.001 0.000 0.300 505 F C 2.459 178.242 175.800 -0.029 0.000 1.090 505 F CA 0.645 58.574 58.000 -0.118 0.000 1.293 505 F CB -1.021 37.947 39.000 -0.054 0.000 1.013 505 F HN 0.078 nan 8.300 nan 0.000 0.486 506 V N 0.497 120.422 119.914 0.019 0.000 2.239 506 V HA -0.239 3.881 4.120 -0.001 0.000 0.242 506 V C 2.302 178.379 176.094 -0.027 0.000 1.038 506 V CA 1.705 63.992 62.300 -0.023 0.000 1.002 506 V CB -0.853 30.843 31.823 -0.211 0.000 0.641 506 V HN 0.391 nan 8.190 nan 0.000 0.449 507 L N 1.052 122.160 121.223 -0.192 0.000 2.622 507 L HA -0.105 4.235 4.340 -0.001 0.000 0.233 507 L C 2.230 178.722 176.870 -0.630 0.000 1.156 507 L CA 1.216 55.827 54.840 -0.382 0.000 0.866 507 L CB -0.511 41.245 42.059 -0.505 0.000 0.980 507 L HN 0.583 nan 8.230 nan 0.000 0.448 508 Q N -0.541 118.976 119.800 -0.471 0.000 2.331 508 Q HA -0.123 4.217 4.340 -0.001 0.000 0.203 508 Q C 1.254 176.936 176.000 -0.531 0.000 0.944 508 Q CA 1.105 56.539 55.803 -0.614 0.000 0.892 508 Q CB -0.343 27.991 28.738 -0.672 0.000 0.983 508 Q HN 0.578 nan 8.270 nan 0.000 0.482 509 F N 1.433 121.266 119.950 -0.195 0.000 2.569 509 F HA 0.108 4.635 4.527 -0.001 0.000 0.295 509 F C 2.315 178.129 175.800 0.022 0.000 1.115 509 F CA 0.533 58.507 58.000 -0.043 0.000 1.450 509 F CB 0.146 39.121 39.000 -0.042 0.000 1.107 509 F HN 0.069 nan 8.300 nan 0.000 0.563 510 Q N -0.524 119.321 119.800 0.075 0.000 2.119 510 Q HA -0.131 4.209 4.340 -0.001 0.000 0.201 510 Q C 1.965 178.082 176.000 0.195 0.000 0.972 510 Q CA 1.156 57.008 55.803 0.082 0.000 0.847 510 Q CB -0.290 28.435 28.738 -0.021 0.000 0.903 510 Q HN 0.336 nan 8.270 nan 0.000 0.433 511 F N 0.394 120.307 119.950 -0.063 0.000 2.084 511 F HA -0.149 4.377 4.527 -0.001 0.000 0.296 511 F C 2.425 178.218 175.800 -0.012 0.000 1.111 511 F CA 1.316 59.266 58.000 -0.084 0.000 1.224 511 F CB -1.309 37.592 39.000 -0.165 0.000 0.991 511 F HN 0.207 nan 8.300 nan 0.000 0.471 512 H N 0.374 119.486 119.070 0.070 0.000 2.319 512 H HA -0.147 4.409 4.556 -0.001 0.000 0.297 512 H C 2.264 177.629 175.328 0.061 0.000 1.097 512 H CA 2.799 58.851 56.048 0.006 0.000 1.285 512 H CB -0.496 29.231 29.762 -0.057 0.000 1.368 512 H HN 0.308 nan 8.280 nan 0.000 0.495 513 E N 0.560 120.816 120.200 0.093 0.000 2.017 513 E HA -0.057 4.293 4.350 -0.001 0.000 0.193 513 E C 2.544 179.156 176.600 0.020 0.000 0.997 513 E CA 1.624 58.038 56.400 0.023 0.000 0.804 513 E CB -1.413 28.343 29.700 0.093 0.000 0.757 513 E HN 0.688 nan 8.360 nan 0.000 0.448 514 A N 0.157 123.014 122.820 0.062 0.000 2.042 514 A HA 0.133 4.452 4.320 -0.001 0.000 0.222 514 A C 2.705 180.292 177.584 0.005 0.000 1.167 514 A CA 3.324 55.385 52.037 0.040 0.000 0.649 514 A CB -0.931 18.106 19.000 0.062 0.000 0.809 514 A HN 1.328 nan 8.150 nan 0.000 0.457 515 L N -2.611 118.611 121.223 -0.001 0.000 2.298 515 L HA 0.040 4.379 4.340 -0.001 0.000 0.209 515 L C 2.688 179.537 176.870 -0.034 0.000 1.084 515 L CA 1.670 56.497 54.840 -0.023 0.000 0.816 515 L CB -1.901 40.152 42.059 -0.009 0.000 0.967 515 L HN 0.599 nan 8.230 nan 0.000 0.460 516 c N -1.137 117.414 118.600 -0.082 0.000 2.435 516 c HA -0.100 4.469 4.570 -0.001 0.000 0.279 516 c C 2.833 176.956 174.090 0.055 0.000 1.321 516 c CA 1.208 57.484 56.329 -0.088 0.000 1.752 516 c CB -0.515 41.863 42.510 -0.220 0.000 1.959 516 c HN 0.735 nan 8.230 nan 0.000 0.500 517 K N 0.995 121.416 120.400 0.034 0.000 1.973 517 K HA -0.134 4.185 4.320 -0.001 0.000 0.210 517 K C 1.872 178.486 176.600 0.024 0.000 1.045 517 K CA 1.298 57.609 56.287 0.039 0.000 0.937 517 K CB -0.291 32.222 32.500 0.023 0.000 0.721 517 K HN 0.432 nan 8.250 nan 0.000 0.438 518 E N -0.181 120.023 120.200 0.007 0.000 2.472 518 E HA -0.104 4.246 4.350 -0.001 0.000 0.200 518 E C 1.131 177.730 176.600 -0.002 0.000 1.046 518 E CA 0.411 56.809 56.400 -0.003 0.000 0.871 518 E CB 0.193 29.883 29.700 -0.017 0.000 0.806 518 E HN 0.336 nan 8.360 nan 0.000 0.533 519 A N 0.163 122.991 122.820 0.012 0.000 2.251 519 A HA 0.249 4.569 4.320 -0.001 0.000 0.209 519 A C 1.519 179.132 177.584 0.048 0.000 1.187 519 A CA 0.626 52.673 52.037 0.017 0.000 0.823 519 A CB -0.205 18.802 19.000 0.012 0.000 0.846 519 A HN 0.218 nan 8.150 nan 0.000 0.486 520 G N -0.878 107.948 108.800 0.043 0.000 2.356 520 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.296 520 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.296 520 G C -0.068 174.869 174.900 0.062 0.000 1.022 520 G CA 0.726 45.845 45.100 0.032 0.000 0.961 520 G HN 1.124 nan 8.290 nan 0.000 0.510 521 Y N -0.220 120.053 120.300 -0.045 0.000 2.334 521 Y HA 0.603 5.153 4.550 -0.001 0.000 0.328 521 Y C 0.063 175.932 175.900 -0.052 0.000 1.130 521 Y CA -0.131 57.939 58.100 -0.049 0.000 1.163 521 Y CB 1.342 39.769 38.460 -0.056 0.000 1.207 521 Y HN 0.536 nan 8.280 nan 0.000 0.471 522 E N 3.266 122.905 120.200 -0.935 0.000 2.182 522 E HA 0.695 5.044 4.350 -0.001 0.000 0.258 522 E C -0.376 175.610 176.600 -1.024 0.000 0.879 522 E CA -0.270 55.648 56.400 -0.802 0.000 0.754 522 E CB 0.878 30.359 29.700 -0.365 0.000 1.162 522 E HN 1.481 nan 8.360 nan 0.000 0.419 523 G N 1.524 109.810 108.800 -0.856 0.000 2.341 523 G HA2 0.439 4.399 3.960 -0.001 0.000 0.293 523 G HA3 0.439 4.399 3.960 -0.001 0.000 0.293 523 G C -2.960 171.873 174.900 -0.111 0.000 1.298 523 G CA -0.390 44.461 45.100 -0.415 0.000 0.868 523 G HN 0.573 nan 8.290 nan 0.000 0.540 524 P HA 0.214 nan 4.420 nan 0.000 0.263 524 P C 1.237 178.539 177.300 0.002 0.000 1.195 524 P CA -0.449 62.637 63.100 -0.024 0.000 0.762 524 P CB 0.879 32.491 31.700 -0.147 0.000 0.799 525 L N 4.712 125.973 121.223 0.063 0.000 2.089 525 L HA -0.232 4.108 4.340 -0.001 0.000 0.213 525 L C 2.107 178.935 176.870 -0.070 0.000 1.079 525 L CA 1.945 56.813 54.840 0.046 0.000 0.758 525 L CB -1.162 40.956 42.059 0.099 0.000 0.891 525 L HN 0.563 nan 8.230 nan 0.000 0.433 526 H N -1.571 117.296 119.070 -0.338 0.000 2.563 526 H HA -0.024 4.532 4.556 -0.001 0.000 0.272 526 H C 1.380 176.605 175.328 -0.172 0.000 1.005 526 H CA 0.935 56.602 56.048 -0.635 0.000 1.171 526 H CB -0.191 28.945 29.762 -1.044 0.000 1.351 526 H HN 0.591 nan 8.280 nan 0.000 0.602 527 Q N 0.287 119.784 119.800 -0.505 0.000 2.217 527 Q HA 0.143 4.482 4.340 -0.001 0.000 0.217 527 Q C 0.454 176.295 176.000 -0.264 0.000 0.844 527 Q CA -0.259 55.318 55.803 -0.377 0.000 0.957 527 Q CB 0.876 29.374 28.738 -0.399 0.000 1.127 527 Q HN 0.414 nan 8.270 nan 0.000 0.503 528 c N 1.485 119.857 118.600 -0.379 0.000 2.689 528 c HA 0.165 4.734 4.570 -0.001 0.000 0.409 528 c C -0.070 173.837 174.090 -0.304 0.000 1.293 528 c CA 0.113 55.968 56.329 -0.791 0.000 2.136 528 c CB 0.421 42.369 42.510 -0.936 0.000 2.719 528 c HN 0.354 nan 8.230 nan 0.000 0.644 529 D N 3.409 123.633 120.400 -0.293 0.000 2.323 529 D HA 0.213 4.853 4.640 -0.001 0.000 0.242 529 D C 0.339 176.655 176.300 0.028 0.000 1.347 529 D CA -0.442 53.549 54.000 -0.015 0.000 0.988 529 D CB 0.854 41.694 40.800 0.067 0.000 1.314 529 D HN 0.455 nan 8.370 nan 0.000 0.564 530 I N 2.201 122.825 120.570 0.090 0.000 3.616 530 I HA 0.093 4.262 4.170 -0.001 0.000 0.306 530 I C 0.947 177.091 176.117 0.044 0.000 1.232 530 I CA -0.740 60.596 61.300 0.059 0.000 1.182 530 I CB -2.571 35.464 38.000 0.058 0.000 1.007 530 I HN 0.382 nan 8.210 nan 0.000 0.479 531 Y N 2.195 122.395 120.300 -0.167 0.000 2.712 531 Y HA 0.218 4.768 4.550 -0.001 0.000 0.333 531 Y C 1.525 177.238 175.900 -0.313 0.000 1.225 531 Y CA -0.108 57.679 58.100 -0.522 0.000 1.499 531 Y CB -0.038 38.277 38.460 -0.242 0.000 1.288 531 Y HN 0.388 nan 8.280 nan 0.000 0.575 532 R N 0.556 120.766 120.500 -0.484 0.000 3.943 532 R HA -0.254 4.086 4.340 -0.001 0.000 0.459 532 R C 0.488 176.654 176.300 -0.224 0.000 0.939 532 R CA 1.200 57.042 56.100 -0.429 0.000 1.515 532 R CB -1.907 28.073 30.300 -0.532 0.000 2.164 532 R HN 0.835 nan 8.270 nan 0.000 0.516 533 S N 0.712 116.322 115.700 -0.150 0.000 2.457 533 S HA 0.222 4.692 4.470 -0.001 0.000 0.294 533 S C 1.381 175.930 174.600 -0.085 0.000 1.201 533 S CA 0.379 58.524 58.200 -0.093 0.000 1.112 533 S CB 0.221 63.388 63.200 -0.055 0.000 1.018 533 S HN 0.352 nan 8.310 nan 0.000 0.511 534 T N 0.651 115.156 114.554 -0.082 0.000 2.857 534 T HA -0.013 4.337 4.350 -0.001 0.000 0.266 534 T C 2.150 176.817 174.700 -0.055 0.000 1.048 534 T CA 1.482 63.541 62.100 -0.068 0.000 1.139 534 T CB -0.688 68.141 68.868 -0.065 0.000 0.874 534 T HN 0.705 nan 8.240 nan 0.000 0.455 535 K N 1.636 122.007 120.400 -0.049 0.000 2.074 535 K HA 0.230 4.550 4.320 -0.001 0.000 0.209 535 K C 2.667 179.240 176.600 -0.044 0.000 1.048 535 K CA 1.864 58.126 56.287 -0.040 0.000 0.926 535 K CB -1.516 30.965 32.500 -0.032 0.000 0.713 535 K HN 0.745 nan 8.250 nan 0.000 0.444 536 A N 0.712 123.504 122.820 -0.047 0.000 1.841 536 A HA 0.237 4.557 4.320 -0.001 0.000 0.214 536 A C 2.887 180.430 177.584 -0.069 0.000 1.195 536 A CA 1.810 53.815 52.037 -0.053 0.000 0.611 536 A CB -1.285 17.689 19.000 -0.043 0.000 0.835 536 A HN 0.735 nan 8.150 nan 0.000 0.443 537 G N -0.199 108.563 108.800 -0.064 0.000 2.547 537 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.221 537 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.221 537 G C 1.712 176.570 174.900 -0.071 0.000 1.140 537 G CA 1.989 47.050 45.100 -0.065 0.000 0.760 537 G HN 0.937 nan 8.290 nan 0.000 0.583 538 A N 0.525 123.307 122.820 -0.062 0.000 1.930 538 A HA 0.201 4.521 4.320 -0.001 0.000 0.217 538 A C 2.589 180.130 177.584 -0.072 0.000 1.175 538 A CA 2.777 54.779 52.037 -0.058 0.000 0.627 538 A CB -0.691 18.282 19.000 -0.045 0.000 0.815 538 A HN 0.658 nan 8.150 nan 0.000 0.443 539 K N -0.211 120.142 120.400 -0.079 0.000 2.211 539 K HA 0.213 4.532 4.320 -0.001 0.000 0.203 539 K C 1.867 178.380 176.600 -0.145 0.000 1.050 539 K CA 1.369 57.600 56.287 -0.094 0.000 0.945 539 K CB -0.814 31.636 32.500 -0.084 0.000 0.732 539 K HN 0.551 nan 8.250 nan 0.000 0.451 540 L N -0.644 120.480 121.223 -0.166 0.000 2.408 540 L HA 0.070 4.409 4.340 -0.001 0.000 0.215 540 L C 1.725 178.469 176.870 -0.210 0.000 1.081 540 L CA 0.201 54.896 54.840 -0.242 0.000 0.840 540 L CB 0.258 42.169 42.059 -0.246 0.000 1.002 540 L HN 0.216 nan 8.230 nan 0.000 0.468 541 R N -0.009 120.406 120.500 -0.142 0.000 2.299 541 R HA -0.058 4.281 4.340 -0.001 0.000 0.197 541 R C 1.563 177.789 176.300 -0.122 0.000 0.971 541 R CA 0.307 56.323 56.100 -0.139 0.000 1.030 541 R CB -0.174 30.075 30.300 -0.086 0.000 0.932 541 R HN 0.236 nan 8.270 nan 0.000 0.477 542 K N 1.019 121.354 120.400 -0.108 0.000 2.366 542 K HA -0.042 4.278 4.320 -0.001 0.000 0.198 542 K C 1.837 178.395 176.600 -0.069 0.000 1.044 542 K CA 0.483 56.729 56.287 -0.068 0.000 0.973 542 K CB 0.332 32.802 32.500 -0.050 0.000 0.767 542 K HN 0.103 nan 8.250 nan 0.000 0.475 543 V N -2.266 117.572 119.914 -0.127 0.000 2.825 543 V HA 0.015 4.135 4.120 -0.001 0.000 0.246 543 V C 1.733 177.732 176.094 -0.158 0.000 1.068 543 V CA 0.601 62.843 62.300 -0.098 0.000 1.088 543 V CB -0.412 31.337 31.823 -0.123 0.000 0.733 543 V HN 0.101 nan 8.190 nan 0.000 0.468 544 L N -0.027 121.001 121.223 -0.325 0.000 2.017 544 L HA -0.140 4.200 4.340 -0.001 0.000 0.208 544 L C 2.974 179.781 176.870 -0.104 0.000 1.073 544 L CA 2.070 56.626 54.840 -0.474 0.000 0.745 544 L CB -0.814 40.938 42.059 -0.510 0.000 0.894 544 L HN 0.334 nan 8.230 nan 0.000 0.432 545 Q N -0.323 119.449 119.800 -0.047 0.000 2.508 545 Q HA -0.130 4.210 4.340 -0.001 0.000 0.214 545 Q C 2.112 178.177 176.000 0.108 0.000 0.979 545 Q CA 1.017 56.854 55.803 0.056 0.000 0.911 545 Q CB -0.028 28.728 28.738 0.029 0.000 0.969 545 Q HN 0.540 nan 8.270 nan 0.000 0.504 546 A N 0.329 123.203 122.820 0.090 0.000 2.072 546 A HA 0.217 4.537 4.320 -0.001 0.000 0.216 546 A C 1.407 179.093 177.584 0.170 0.000 1.156 546 A CA 0.919 53.020 52.037 0.105 0.000 0.701 546 A CB -0.468 18.573 19.000 0.069 0.000 0.816 546 A HN 0.440 nan 8.150 nan 0.000 0.458 547 G N -0.872 108.095 108.800 0.279 0.000 2.652 547 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.318 547 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.318 547 G C 1.136 176.153 174.900 0.195 0.000 1.295 547 G CA 1.130 46.508 45.100 0.464 0.000 0.999 547 G HN 1.533 nan 8.290 nan 0.000 0.548 548 S N -0.225 115.553 115.700 0.129 0.000 2.557 548 S HA 0.518 4.988 4.470 -0.001 0.000 0.223 548 S C 2.184 176.785 174.600 0.001 0.000 0.969 548 S CA 1.244 59.446 58.200 0.004 0.000 0.927 548 S CB -0.168 63.008 63.200 -0.039 0.000 0.806 548 S HN 1.984 nan 8.310 nan 0.000 0.489 549 S N 0.942 116.667 115.700 0.041 0.000 2.359 549 S HA 0.026 4.496 4.470 -0.001 0.000 0.222 549 S C 1.398 176.014 174.600 0.027 0.000 1.038 549 S CA 1.211 59.432 58.200 0.034 0.000 1.051 549 S CB -0.798 62.434 63.200 0.052 0.000 0.944 549 S HN 0.959 nan 8.310 nan 0.000 0.433 550 R N 1.955 122.478 120.500 0.038 0.000 2.536 550 R HA 0.719 5.059 4.340 -0.001 0.000 0.279 550 R C -3.187 173.156 176.300 0.072 0.000 1.001 550 R CA -2.297 53.836 56.100 0.055 0.000 1.027 550 R CB -1.280 29.062 30.300 0.070 0.000 1.096 550 R HN 0.394 nan 8.270 nan 0.000 0.502 551 P HA 0.009 nan 4.420 nan 0.000 0.265 551 P C 0.592 178.195 177.300 0.504 0.000 1.222 551 P CA -0.409 62.847 63.100 0.260 0.000 0.767 551 P CB 0.302 32.170 31.700 0.280 0.000 0.801 552 W N 3.919 125.190 121.300 -0.049 0.000 2.277 552 W HA -0.345 4.315 4.660 -0.001 0.000 0.327 552 W C 1.857 178.474 176.519 0.163 0.000 1.284 552 W CA 2.510 59.812 57.345 -0.071 0.000 1.277 552 W CB -2.372 27.012 29.460 -0.127 0.000 1.141 552 W HN 0.385 nan 8.180 nan 0.000 0.482 553 Q N 1.120 120.708 119.800 -0.354 0.000 2.118 553 Q HA -0.302 4.037 4.340 -0.001 0.000 0.211 553 Q C 2.036 178.046 176.000 0.016 0.000 0.998 553 Q CA 2.967 58.574 55.803 -0.328 0.000 0.872 553 Q CB -1.343 27.268 28.738 -0.212 0.000 0.925 553 Q HN 0.751 nan 8.270 nan 0.000 0.414 554 E N -0.362 119.917 120.200 0.132 0.000 2.107 554 E HA 0.062 4.412 4.350 -0.001 0.000 0.191 554 E C 2.384 179.061 176.600 0.128 0.000 0.982 554 E CA 0.884 57.355 56.400 0.119 0.000 0.809 554 E CB -0.262 29.513 29.700 0.125 0.000 0.756 554 E HN 0.647 nan 8.360 nan 0.000 0.459 555 V N 1.333 121.350 119.914 0.171 0.000 2.490 555 V HA -0.207 3.912 4.120 -0.001 0.000 0.250 555 V C 2.238 178.465 176.094 0.221 0.000 1.061 555 V CA 1.721 64.126 62.300 0.176 0.000 1.064 555 V CB -0.455 31.474 31.823 0.175 0.000 0.670 555 V HN 0.062 nan 8.190 nan 0.000 0.461 556 L N -0.076 121.313 121.223 0.278 0.000 2.023 556 L HA -0.081 4.258 4.340 -0.001 0.000 0.205 556 L C 2.521 179.470 176.870 0.131 0.000 1.073 556 L CA 2.485 57.476 54.840 0.252 0.000 0.745 556 L CB -0.661 41.533 42.059 0.224 0.000 0.900 556 L HN 0.543 nan 8.230 nan 0.000 0.435 557 K N -0.945 119.510 120.400 0.092 0.000 2.442 557 K HA -0.199 4.120 4.320 -0.001 0.000 0.199 557 K C 0.991 177.625 176.600 0.057 0.000 1.044 557 K CA 1.642 57.966 56.287 0.061 0.000 0.941 557 K CB -0.000 32.531 32.500 0.051 0.000 0.759 557 K HN 0.400 nan 8.250 nan 0.000 0.472 558 D N -0.528 119.912 120.400 0.066 0.000 2.324 558 D HA -0.006 4.634 4.640 -0.001 0.000 0.212 558 D C 1.546 177.865 176.300 0.031 0.000 0.984 558 D CA 0.579 54.606 54.000 0.046 0.000 0.885 558 D CB 0.205 41.034 40.800 0.047 0.000 0.996 558 D HN 0.157 nan 8.370 nan 0.000 0.505 559 M N -0.185 119.440 119.600 0.041 0.000 2.299 559 M HA -0.010 4.470 4.480 -0.001 0.000 0.264 559 M C 1.285 177.597 176.300 0.020 0.000 1.095 559 M CA 1.054 56.356 55.300 0.003 0.000 1.165 559 M CB 0.399 32.975 32.600 -0.040 0.000 1.349 559 M HN -0.130 nan 8.290 nan 0.000 0.446 560 V N -0.892 119.060 119.914 0.063 0.000 2.581 560 V HA 0.255 4.375 4.120 -0.001 0.000 0.240 560 V C 1.696 177.820 176.094 0.050 0.000 1.054 560 V CA 1.484 63.826 62.300 0.071 0.000 1.076 560 V CB 0.718 32.606 31.823 0.109 0.000 0.748 560 V HN 0.756 nan 8.190 nan 0.000 0.474 561 G N -0.874 107.955 108.800 0.049 0.000 3.006 561 G HA2 0.011 3.970 3.960 -0.001 0.000 0.195 561 G HA3 0.011 3.970 3.960 -0.001 0.000 0.195 561 G C 0.045 174.967 174.900 0.037 0.000 1.034 561 G CA 0.094 45.216 45.100 0.038 0.000 0.807 561 G HN 0.890 nan 8.290 nan 0.000 0.469 562 L N 1.279 122.525 121.223 0.038 0.000 2.325 562 L HA 0.813 5.152 4.340 -0.001 0.000 0.279 562 L C 1.331 178.211 176.870 0.017 0.000 1.054 562 L CA 0.427 55.283 54.840 0.027 0.000 0.804 562 L CB 0.886 42.958 42.059 0.022 0.000 1.200 562 L HN 0.216 nan 8.230 nan 0.000 0.436 563 D N 0.590 120.994 120.400 0.008 0.000 2.392 563 D HA 0.316 4.956 4.640 -0.001 0.000 0.228 563 D C 0.388 176.650 176.300 -0.063 0.000 1.003 563 D CA 1.432 55.425 54.000 -0.013 0.000 0.917 563 D CB 0.432 41.237 40.800 0.007 0.000 0.890 563 D HN 1.099 nan 8.370 nan 0.000 0.532 564 A N -0.872 121.915 122.820 -0.053 0.000 2.483 564 A HA 0.448 4.767 4.320 -0.001 0.000 0.306 564 A C -1.204 176.347 177.584 -0.056 0.000 1.137 564 A CA -0.705 51.279 52.037 -0.088 0.000 0.626 564 A CB 0.122 19.090 19.000 -0.053 0.000 1.352 564 A HN 0.076 nan 8.150 nan 0.000 0.508 565 L N 1.058 122.252 121.223 -0.048 0.000 2.461 565 L HA 0.438 4.777 4.340 -0.001 0.000 0.272 565 L C -0.522 176.345 176.870 -0.006 0.000 1.197 565 L CA 0.426 55.247 54.840 -0.030 0.000 0.836 565 L CB 0.523 42.586 42.059 0.006 0.000 1.105 565 L HN 0.719 nan 8.230 nan 0.000 0.477 566 D N 0.513 120.907 120.400 -0.011 0.000 2.927 566 D HA 0.427 5.066 4.640 -0.001 0.000 0.219 566 D C -0.025 176.279 176.300 0.007 0.000 1.248 566 D CA -0.257 53.748 54.000 0.009 0.000 0.861 566 D CB 2.080 42.889 40.800 0.016 0.000 1.677 566 D HN 0.411 nan 8.370 nan 0.000 0.511 567 A N 2.456 125.283 122.820 0.012 0.000 2.030 567 A HA 0.177 4.496 4.320 -0.001 0.000 0.215 567 A C 2.033 179.623 177.584 0.009 0.000 1.164 567 A CA 1.857 53.895 52.037 0.002 0.000 0.697 567 A CB -0.873 18.125 19.000 -0.002 0.000 0.827 567 A HN 0.658 nan 8.150 nan 0.000 0.457 568 Q N 0.640 120.453 119.800 0.020 0.000 2.124 568 Q HA -0.264 4.075 4.340 -0.001 0.000 0.215 568 Q C 0.296 176.320 176.000 0.041 0.000 1.015 568 Q CA 2.590 58.410 55.803 0.028 0.000 0.890 568 Q CB -2.973 25.784 28.738 0.032 0.000 0.966 568 Q HN 0.680 nan 8.270 nan 0.000 0.412 569 P HA -0.055 nan 4.420 nan 0.000 0.220 569 P C 1.525 178.871 177.300 0.076 0.000 1.148 569 P CA 1.075 64.236 63.100 0.102 0.000 0.803 569 P CB -0.131 31.655 31.700 0.144 0.000 0.782 570 L N -0.783 120.419 121.223 -0.035 0.000 2.044 570 L HA -0.078 4.261 4.340 -0.001 0.000 0.205 570 L C 2.756 179.599 176.870 -0.044 0.000 1.075 570 L CA 1.061 55.726 54.840 -0.292 0.000 0.747 570 L CB -0.771 41.092 42.059 -0.325 0.000 0.903 570 L HN -0.190 nan 8.230 nan 0.000 0.435 571 L N -0.242 120.984 121.223 0.005 0.000 2.021 571 L HA -0.347 3.993 4.340 -0.001 0.000 0.215 571 L C 2.587 179.503 176.870 0.077 0.000 1.074 571 L CA 1.699 56.568 54.840 0.049 0.000 0.760 571 L CB -0.645 41.428 42.059 0.023 0.000 0.889 571 L HN 0.220 nan 8.230 nan 0.000 0.433 572 K N -1.132 119.307 120.400 0.065 0.000 2.147 572 K HA -0.232 4.087 4.320 -0.001 0.000 0.205 572 K C 2.119 178.763 176.600 0.073 0.000 1.049 572 K CA 1.537 57.866 56.287 0.070 0.000 0.936 572 K CB -0.173 32.373 32.500 0.078 0.000 0.722 572 K HN 0.269 nan 8.250 nan 0.000 0.446 573 Y N -0.645 119.612 120.300 -0.072 0.000 2.263 573 Y HA -0.129 4.420 4.550 -0.001 0.000 0.292 573 Y C 1.235 176.919 175.900 -0.361 0.000 1.130 573 Y CA 1.365 59.361 58.100 -0.174 0.000 1.179 573 Y CB 0.169 38.426 38.460 -0.338 0.000 0.998 573 Y HN -0.069 nan 8.280 nan 0.000 0.532 574 F N -0.121 119.879 119.950 0.083 0.000 2.727 574 F HA 0.080 4.606 4.527 -0.001 0.000 0.302 574 F C 2.102 177.866 175.800 -0.061 0.000 1.097 574 F CA 0.067 58.069 58.000 0.003 0.000 1.330 574 F CB -0.204 38.803 39.000 0.011 0.000 1.084 574 F HN 0.013 nan 8.300 nan 0.000 0.578 575 Q N 0.936 120.777 119.800 0.068 0.000 2.065 575 Q HA -0.263 4.077 4.340 -0.001 0.000 0.213 575 Q C -0.598 175.420 176.000 0.031 0.000 1.012 575 Q CA 2.714 58.541 55.803 0.041 0.000 0.876 575 Q CB -1.239 27.511 28.738 0.020 0.000 0.954 575 Q HN 0.223 nan 8.270 nan 0.000 0.413 576 P HA -0.174 nan 4.420 nan 0.000 0.216 576 P C 1.287 178.638 177.300 0.086 0.000 1.153 576 P CA 1.142 64.247 63.100 0.008 0.000 0.858 576 P CB 0.013 31.670 31.700 -0.072 0.000 0.789 577 V N -1.302 118.661 119.914 0.082 0.000 2.788 577 V HA -0.123 3.996 4.120 -0.001 0.000 0.251 577 V C 2.012 178.199 176.094 0.154 0.000 1.068 577 V CA 2.083 64.481 62.300 0.163 0.000 1.090 577 V CB -1.283 30.625 31.823 0.140 0.000 0.710 577 V HN 0.143 nan 8.190 nan 0.000 0.467 578 T N 0.072 114.696 114.554 0.116 0.000 2.720 578 T HA -0.207 4.142 4.350 -0.001 0.000 0.268 578 T C 1.833 176.553 174.700 0.034 0.000 1.037 578 T CA 1.777 63.913 62.100 0.059 0.000 1.144 578 T CB -0.146 68.756 68.868 0.057 0.000 0.864 578 T HN 0.502 nan 8.240 nan 0.000 0.444 579 Q N -0.827 119.010 119.800 0.060 0.000 2.163 579 Q HA -0.015 4.324 4.340 -0.001 0.000 0.198 579 Q C 2.060 178.085 176.000 0.041 0.000 0.954 579 Q CA 0.817 56.644 55.803 0.039 0.000 0.851 579 Q CB -0.472 28.298 28.738 0.054 0.000 0.928 579 Q HN 0.690 nan 8.270 nan 0.000 0.459 580 W N 1.797 123.061 121.300 -0.060 0.000 2.363 580 W HA -0.109 4.551 4.660 -0.001 0.000 0.296 580 W C 1.681 178.109 176.519 -0.151 0.000 1.212 580 W CA 1.059 58.359 57.345 -0.075 0.000 1.260 580 W CB -0.215 29.209 29.460 -0.060 0.000 1.131 580 W HN 0.024 nan 8.180 nan 0.000 0.530 581 L N 0.414 121.546 121.223 -0.152 0.000 2.005 581 L HA -0.266 4.074 4.340 -0.001 0.000 0.207 581 L C 2.825 179.477 176.870 -0.364 0.000 1.072 581 L CA 2.066 56.650 54.840 -0.427 0.000 0.744 581 L CB -1.009 40.921 42.059 -0.215 0.000 0.895 581 L HN 0.117 nan 8.230 nan 0.000 0.433 582 Q N -0.468 119.212 119.800 -0.200 0.000 2.226 582 Q HA -0.263 4.076 4.340 -0.001 0.000 0.204 582 Q C 1.817 177.704 176.000 -0.188 0.000 0.975 582 Q CA 1.534 57.242 55.803 -0.157 0.000 0.866 582 Q CB -0.304 28.376 28.738 -0.095 0.000 0.915 582 Q HN 0.418 nan 8.270 nan 0.000 0.440 583 E N 1.299 121.355 120.200 -0.238 0.000 2.072 583 E HA -0.182 4.168 4.350 -0.001 0.000 0.191 583 E C 2.144 178.574 176.600 -0.283 0.000 0.985 583 E CA 1.169 57.435 56.400 -0.223 0.000 0.801 583 E CB 0.076 29.651 29.700 -0.207 0.000 0.750 583 E HN 0.255 nan 8.360 nan 0.000 0.452 584 Q N 0.481 119.991 119.800 -0.484 0.000 2.030 584 Q HA -0.176 4.163 4.340 -0.001 0.000 0.204 584 Q C 2.004 177.878 176.000 -0.211 0.000 0.986 584 Q CA 1.453 56.991 55.803 -0.443 0.000 0.843 584 Q CB -0.634 27.649 28.738 -0.758 0.000 0.904 584 Q HN 0.353 nan 8.270 nan 0.000 0.420 585 N N 1.126 119.723 118.700 -0.172 0.000 2.036 585 N HA -0.219 4.521 4.740 -0.001 0.000 0.195 585 N C 1.917 177.378 175.510 -0.082 0.000 1.037 585 N CA 1.974 54.978 53.050 -0.077 0.000 0.855 585 N CB -0.379 38.076 38.487 -0.053 0.000 1.033 585 N HN 0.471 nan 8.380 nan 0.000 0.423 586 Q N 1.081 120.824 119.800 -0.095 0.000 2.050 586 Q HA -0.140 4.199 4.340 -0.001 0.000 0.202 586 Q C 1.873 177.827 176.000 -0.076 0.000 0.980 586 Q CA 1.681 57.437 55.803 -0.079 0.000 0.840 586 Q CB -0.553 28.140 28.738 -0.076 0.000 0.898 586 Q HN 0.359 nan 8.270 nan 0.000 0.424 587 Q N 0.070 119.817 119.800 -0.088 0.000 2.152 587 Q HA -0.148 4.191 4.340 -0.001 0.000 0.206 587 Q C 1.590 177.550 176.000 -0.067 0.000 0.985 587 Q CA 1.460 57.218 55.803 -0.074 0.000 0.863 587 Q CB -0.176 28.512 28.738 -0.083 0.000 0.904 587 Q HN 0.563 nan 8.270 nan 0.000 0.422 588 N N -0.723 117.933 118.700 -0.073 0.000 2.412 588 N HA 0.012 4.752 4.740 -0.001 0.000 0.184 588 N C 0.474 175.940 175.510 -0.073 0.000 1.101 588 N CA 0.925 53.934 53.050 -0.070 0.000 0.881 588 N CB 0.830 39.276 38.487 -0.070 0.000 0.969 588 N HN 0.341 nan 8.380 nan 0.000 0.459 589 G N 1.775 110.534 108.800 -0.069 0.000 2.298 589 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.287 589 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.287 589 G C -0.208 174.649 174.900 -0.072 0.000 1.075 589 G CA 0.128 45.188 45.100 -0.067 0.000 0.960 589 G HN 0.316 nan 8.290 nan 0.000 0.502 590 E N -1.173 118.988 120.200 -0.066 0.000 2.349 590 E HA 0.562 4.911 4.350 -0.001 0.000 0.265 590 E C 0.540 177.110 176.600 -0.051 0.000 1.064 590 E CA -0.442 55.922 56.400 -0.061 0.000 0.886 590 E CB 1.336 31.011 29.700 -0.042 0.000 1.036 590 E HN 0.184 nan 8.360 nan 0.000 0.413 591 V N 4.404 124.290 119.914 -0.046 0.000 2.439 591 V HA 0.200 4.319 4.120 -0.001 0.000 0.282 591 V C -0.137 175.941 176.094 -0.027 0.000 1.039 591 V CA -0.522 61.750 62.300 -0.046 0.000 0.913 591 V CB 0.835 32.628 31.823 -0.050 0.000 0.983 591 V HN 0.529 nan 8.190 nan 0.000 0.460 592 L N 5.654 126.843 121.223 -0.057 0.000 2.281 592 L HA 0.731 5.070 4.340 -0.001 0.000 0.285 592 L C 0.900 177.663 176.870 -0.178 0.000 1.074 592 L CA 0.529 55.329 54.840 -0.067 0.000 0.817 592 L CB 0.623 42.632 42.059 -0.083 0.000 1.168 592 L HN 0.976 nan 8.230 nan 0.000 0.434 593 G N 3.225 111.888 108.800 -0.229 0.000 2.447 593 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.220 593 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.220 593 G C -1.749 172.975 174.900 -0.293 0.000 1.261 593 G CA -0.243 44.416 45.100 -0.734 0.000 1.000 593 G HN 0.806 nan 8.290 nan 0.000 0.515 594 W N -2.298 119.021 121.300 0.031 0.000 2.451 594 W HA 0.658 5.317 4.660 -0.001 0.000 0.285 594 W C -2.302 174.262 176.519 0.076 0.000 1.024 594 W CA -1.916 55.468 57.345 0.065 0.000 1.421 594 W CB 0.820 30.344 29.460 0.106 0.000 1.319 594 W HN 0.451 nan 8.180 nan 0.000 0.366 595 P HA -0.155 nan 4.420 nan 0.000 0.218 595 P C 0.451 177.747 177.300 -0.008 0.000 1.149 595 P CA 1.626 64.736 63.100 0.018 0.000 0.817 595 P CB 0.389 32.070 31.700 -0.031 0.000 0.785 596 E N -0.156 120.060 120.200 0.026 0.000 2.452 596 E HA -0.018 4.332 4.350 -0.001 0.000 0.293 596 E C 0.387 177.041 176.600 0.090 0.000 1.535 596 E CA -0.287 56.090 56.400 -0.038 0.000 1.816 596 E CB -0.565 29.143 29.700 0.013 0.000 1.494 596 E HN 0.466 nan 8.360 nan 0.000 0.464 597 Y N -0.463 119.994 120.300 0.262 0.000 2.516 597 Y HA -0.238 4.312 4.550 -0.001 0.000 0.284 597 Y C 1.657 177.713 175.900 0.260 0.000 1.166 597 Y CA 0.965 59.246 58.100 0.302 0.000 1.350 597 Y CB -0.569 38.051 38.460 0.267 0.000 0.967 597 Y HN 0.153 nan 8.280 nan 0.000 0.568 598 Q N -1.061 118.909 119.800 0.283 0.000 2.339 598 Q HA 0.000 4.339 4.340 -0.001 0.000 0.205 598 Q C 0.173 176.415 176.000 0.404 0.000 0.925 598 Q CA -0.169 55.854 55.803 0.366 0.000 0.898 598 Q CB -0.031 28.821 28.738 0.189 0.000 1.013 598 Q HN 0.585 nan 8.270 nan 0.000 0.504 599 W N 1.509 122.908 121.300 0.165 0.000 2.293 599 W HA -0.084 4.575 4.660 -0.001 0.000 0.342 599 W C -0.614 176.019 176.519 0.191 0.000 1.274 599 W CA 1.011 58.451 57.345 0.160 0.000 1.290 599 W CB 0.349 29.847 29.460 0.063 0.000 1.176 599 W HN 0.118 nan 8.180 nan 0.000 0.570 600 H N 5.288 123.642 119.070 -1.192 0.000 2.894 600 H HA 0.390 4.946 4.556 -0.001 0.000 0.367 600 H C -2.065 172.314 175.328 -1.582 0.000 1.144 600 H CA -1.840 53.497 56.048 -1.185 0.000 1.180 600 H CB 1.635 31.058 29.762 -0.565 0.000 1.758 600 H HN 0.168 nan 8.280 nan 0.000 0.541 601 P HA 0.155 nan 4.420 nan 0.000 0.274 601 P C -2.542 174.646 177.300 -0.187 0.000 1.237 601 P CA -1.332 61.463 63.100 -0.507 0.000 0.793 601 P CB 0.800 32.474 31.700 -0.045 0.000 0.977 602 P HA 0.274 nan 4.420 nan 0.000 0.279 602 P C -0.227 177.129 177.300 0.092 0.000 1.282 602 P CA -0.407 62.697 63.100 0.007 0.000 0.788 602 P CB 0.874 32.574 31.700 -0.000 0.000 1.139 603 L N 0.672 121.926 121.223 0.053 0.000 2.395 603 L HA 0.286 4.625 4.340 -0.001 0.000 0.269 603 L C -1.879 175.047 176.870 0.092 0.000 1.133 603 L CA -1.992 52.864 54.840 0.027 0.000 0.812 603 L CB 0.071 42.145 42.059 0.025 0.000 1.125 603 L HN 0.244 nan 8.230 nan 0.000 0.452 604 P HA -0.068 nan 4.420 nan 0.000 0.261 604 P C 0.277 177.652 177.300 0.126 0.000 1.173 604 P CA 0.103 63.264 63.100 0.101 0.000 0.760 604 P CB 0.439 32.156 31.700 0.029 0.000 0.783 605 D N 1.542 122.017 120.400 0.124 0.000 2.303 605 D HA -0.189 4.450 4.640 -0.001 0.000 0.190 605 D C 0.337 176.698 176.300 0.103 0.000 1.011 605 D CA 1.678 55.734 54.000 0.094 0.000 0.860 605 D CB -0.054 40.791 40.800 0.074 0.000 0.961 605 D HN 0.447 nan 8.370 nan 0.000 0.453 606 N N -0.758 118.012 118.700 0.117 0.000 2.443 606 N HA 0.236 4.975 4.740 -0.001 0.000 0.295 606 N C -1.032 174.618 175.510 0.233 0.000 1.076 606 N CA -0.241 52.891 53.050 0.138 0.000 0.919 606 N CB 1.590 40.133 38.487 0.093 0.000 1.176 606 N HN 0.178 nan 8.380 nan 0.000 0.487 607 Y N 1.800 122.137 120.300 0.061 0.000 2.333 607 Y HA 0.403 4.952 4.550 -0.001 0.000 0.324 607 Y C -2.035 173.917 175.900 0.087 0.000 1.033 607 Y CA -1.168 56.981 58.100 0.081 0.000 1.224 607 Y CB 1.388 39.904 38.460 0.094 0.000 1.120 607 Y HN 0.559 nan 8.280 nan 0.000 0.457 608 P HA 0.305 nan 4.420 nan 0.000 0.219 608 P C -0.013 177.310 177.300 0.039 0.000 1.149 608 P CA 1.315 64.405 63.100 -0.016 0.000 0.755 608 P CB -0.055 31.496 31.700 -0.249 0.000 1.201 609 E N -0.162 120.007 120.200 -0.052 0.000 2.440 609 E HA -0.077 4.273 4.350 -0.001 0.000 0.246 609 E C 0.737 177.338 176.600 0.002 0.000 1.165 609 E CA 0.759 57.140 56.400 -0.031 0.000 0.726 609 E CB -2.415 27.285 29.700 -0.001 0.000 1.271 609 E HN 0.652 nan 8.360 nan 0.000 0.397 610 G N -1.625 107.169 108.800 -0.009 0.000 2.525 610 G HA2 0.892 4.851 3.960 -0.001 0.000 0.276 610 G HA3 0.892 4.851 3.960 -0.001 0.000 0.276 610 G C 0.931 175.809 174.900 -0.036 0.000 1.388 610 G CA 1.056 46.157 45.100 0.002 0.000 1.050 610 G HN 1.901 nan 8.290 nan 0.000 0.520 611 I N 0.000 120.566 120.570 -0.007 0.000 2.984 611 I HA 0.000 4.169 4.170 -0.001 0.000 0.288 611 I CA 0.000 61.306 61.300 0.010 0.000 1.566 611 I CB 0.000 38.014 38.000 0.024 0.000 1.214 611 I HN 0.000 nan 8.210 nan 0.000 0.494